VOA (VCD / ROA) papers published between 1967 – 2006

(The field of VOA has been growing very rapidly and we have not been able to keep-up  – we hope to update this list someday very soon!

Emeis, C. A.; Oosterhoff, L. J. (1967). “Emission of circularly-polarised radiation by optically-active compounds.” Chem Phys Lett 1(4): 129.

Schiff, L. I. (1968). Quantum Mechanics, 3rd Edition. New York, McGraw Hill.

Venkatachalam, C. M. (1968). “Stereochemical Criteria for Polypeptides and Proteins. V. Conformation of a System of Three Linked Peptide Units.” Biopolymers 6: 1425-1436.

Atkins, P. W.; Barron, L. D. (1969). “Rayleigh Scattering of Polarized Photons by Molecules.” Mol Phys 16(5): 453-466.

Fanconi, B.; Tomlinson, B.; et al. (1969). “Polarized Laser Raman Studies on Biological Polymers.” J Chem Phys 51: 3993-4005.

Pine, A. S.; Dresselhaus, G. (1969). “Linear Wave-Vector Shifts in the Raman Spectrum of a-Quartz and Infrared Optical Activity.” Phys Rev 188(3): 1489-1496.

Freeman, S. K.; Mayo, D. W. (1970). “Application of Laser-Excited Raman Spectroscopy to Organic Chemistry. IV. A Skeletal Frequency Correlation for Pinane-Type Molecules.” Appl Spectrosc 24(6): 595.

Nafie, L. A.; Stein, P.; et al. (1970). “Angular Dependence of Raman Scattering Intensity.” J Chem Phys 52: 1584-1588.

Peticolas, W. L.; Fanconi, B.; et al. (1970). “Inelastic Light Scattering from Biological and Synthetic Polymers.” Annal NY Acad Sci 168: 564-588.

Peticolas, W. L.; Nafie, L. A.; et al. (1970). “Quantum Theory of Intensities of Molecular Vibrational Spectra.” J Chem Phys 52: 1576-1584.

Barron, L. D. (1971). “Symmetry Rules for the Differential Raman Scattering of Circularly Polarized Light by Optically Active Molecules.” J Chem Soc (A): 2899-2904.

Barron, L. D.; Buckingham, A. D. (1971). “Rayleigh and Raman Scattering from Optically Active Molecules.” Mol Phys 20(6): 1111-1119.

Emeis, C. A.; Oosterhoff, L. J. (1971). “The n-p* Absorption and Emission of Optically Active trans-b-Hydrindane and trans-b- Thiohydrindane.” J Chem Phys 54: 4809-4819.

Nafie, L. A.; Stein, P.; et al. (1971). “Time Ordered Diagrams for the Resonant Raman Effect from Molecular Vibrations.” Chem Phys Lett 12: 131-136.

Pine, A. S.; Dresselhaus, G. (1971). “Raman Spectra and Lattice Dynamics of Tellurium.” Phys Rev B 4(2): 365-371.

Wani, M. C.; Taylor, H. L.; et al. (1971). “Plant Antitumor Agents, VI. The Isolation dn Structure of Taxol, a Novel Antileukemic and Antitumor Agent from Taxus Brevifolia.” J Am Chem Soc 93: 2325.

Barron, L. D.; Buckingham, A. D. (1972). “Rayleigh and Raman Scattering by Molecules in Magnetic Fields.” Mol Phys 23(1): 145-150.

Bosnick, B.; Moskovits, M.; et al. (1972). “Raman Circular Dichroism. Its Observation in á-Phenylethylamine.” J Am Chem Soc 94(3): 4750-4751.

Chabay, I.; Hsu, E. C.; et al. (1972). “Infrared Circular Dichroism Measurement Between 2000 and 5000 cm-1: Pr+3 Tartrate Complexes.” Chem Phys Lett 15: 211-214.

Holzwarth, G.; Chabay, I. (1972). “Optical Activity in Molecular Vibrations: A Coupled Oscillator Model.” J Chem Phys 57: 1632-1635.

Nafie, L. A.; Peticolas, W. L. (1972). “Reorientation and Vibrational Relaxation as Line Broadening Factors in Vibrational Spectroscopy.” J Chem Phys 57: 3145-3155.

Barron, L. D. ; Bogaard, M. P.; et al. (1973). “Differential Raman Scattering of Right and Left Circularly Polarized Light by Asymmetric Molecules.” Nature 241: 113-114.”

pubs[pubs.length] = “Barron, L. D.; Bogaard, M. P. ; et al. (1973). “Raman Circular Intensity Differential Observations on Some Monterpenes.” JCS Chem Comm: 152-153.

Barron, L. D. ; Bogaard, M. P.; et al. (1973). “Raman Scattering of Circularly Polarized Light by Optically Active Molecules.” J Am Chem Soc 95: 603-605.

Diem, M.; Fry, J. L.; et al. (1973). “Circular Differential Raman Spectra of Carvone.” J Am Chem Soc 95(1): 253-255.

Hsu, E. C.; Holzwarth, G. (1973). “Vibrational Circular Dichroism in Crystalline alpha-NiSO4.6H20 and alpha-ZnSeO4.6H20 between 1900 and 5000 cm-1.” J Chem Phys 59: 4678-4685.

Krikorian, S. E.; Mahpour, M. (1973). “The identification and origin of NH overtone and combination bands in the near-infrared spectra of simple primary and secondary amides.” Spectrochim Acta 29A: 1233-1246.

Nafie, L. A.; Pezolet, M.; et al. (1973). “Origin of the Intensity of the Resonant Raman Bands of Differing Polarization in Heme-Proteins.” Chem Phys Lett 20: 563-568.

Pezolet, M.; Nafie, L. A.; et al. (1973). “Complete Polarization Measurements for Non-Symmetric Raman Tensors: Symmetry Assignments of Ferrocytochrom c Vibrations.” J Raman Spectrosc 1: 455-464.

Salvadori, P.; Ciardelli, F. (1973). An Introduction to Chiroptical Techniques: Basic Principles, Definitions and Applications. Optical Rotatory Dispersion and Circular Dichroism. F. Ciardelli and P. Salvadori. London, Heyden and Sons, Ltd.: 3-24.

Schellman, J. A. (1973). “Vibrational Optical Activity.” J Chem Phys 58: 2882-2886.

Barron, L. D.; Buckingham, A. D. (1974). “A Simple Two-Group Model for Rayleigh and Raman Optical Activity.” J Am Chem Soc 96: 4769-4773.

Barron, L. D.; Buckingham, A. D. (1974). “Raman Optical Activity of Bromocamphor Solutions.” JCS Chem Comm: 1028-1029.

Barron, L. D. (1974). “Theoretical Rayleigh Optical Activity of Hexahelicene.” J Am Chem Soc 96: 6761-6762.

Fleischmann, M.; Hendra, P. J.; et al. (1974). “Raman Spectra of Pyradine Adsorbed at a Silver Electrode.” Chem Phys Lett 26: 163-166.

Holzwarth, G.; Hsu, E. C.; et al. (1974). “Infrared Circular Dichroism of Carbon-Hydrogen and Carbon-Deuterium Stretching Modes. Observations.” J Am Chem Soc 96: 251-252.

Person, W. B.; Newton, J. H. (1974). “Dipole Moment Derivatives and Infrared Intensities.” J Chem Phys 61: 1040-1049.

Prasad, P. L.; Singh, S. (1974). “Sign Ambiguity in Dipole Moment Derivatives of Br2CO.” Chem Phys Lett 24: 543.

Turner, D. H.; Tinoco, J. I.; et al. (1974). “Fluorescence Detected Circular Dichroism.” J Am Chem Soc 96: 4340-4342.

Allen, S. D.; Braunstein, A. I.; et al. (1975). “A 10.6 Micron Modulated Light Ellipsometer Optical Properties of Highly Transparent Solids.” S. S. Mitra and B. Bendow. New York, Plenum: 503-514.

Barron, L. D. (1975). “Magnetic Vibrational Optical Activity in the Resonance Raman Spectrum of Ferrocytochrome C.” Nature 275: 372-374.

Barron, L. D. (1975). “Methyl Group as a Probe of Chirality in Raman Optical Activity.” Nature 255: 458-460.

Barron, L. D.; Buckingham, A. D. (1975). “Rayleigh and Raman Optical Activity.” Ann Rev Phys Chem 26: 381.

Bonner, O. D.; Choi, Y. S. (1975). “Water-amide interaction.” Spectrochim Acta 31A: 1975-1979.

Buckingham, A. D.; Raab, R. E. (1975). “Electric-Field-Induced Differential Scattering of Right and Left Circularly Polarized Light.” Proc R Soc Lond A 345: 365-377.

Cheng, J. C.; Nafie, L. A.; et al. (1975). “Polarization Scrambling Using a Photoelastic Modulator: Application to Circular Dichroism Measurement.” J Opt Soc Amer 65: 1031-1035.

Hug, W.; Kint, S.; et al. (1975). “Raman Circular Intensity Differential Spectroscopy. The Spectra of (-)-a-Pinene and (+)-a-Phenylethylamine.” J Am Chem Soc 97: 5589-5590.

Nafie, L. A.; Cheng, J. C.; et al. (1975). “Vibrational Circular Dichroism of 2,2,2-Trifluoro-1-phenylethanol.” J Am Chem Soc 97: 3842.

Prasad, P. L.; Singh, S. (1975). “Calculation of Electro Optical Parameters: A New Approach.” Chem Phys Lett 31: 535.

Prasad, P. L.; Singh, S. (1975). “Calculation of Electro Parameters: A New Approach – Application to Nitromethane.” Chem Phys Lett 32: 265.

Barron, L. D. (1976). “Anti-Stokes Raman Optical Activity.” Mol Phys 31(6): 1929-1931.

Barron, L. D. (1976). “Raman Optical Activity.” Invited Lecture: 667-686.

Cheng, J. C.; Nafie, L. A.; et al. (1976). “Photoelastic Modulator for the 0.55-13 ?m Range.” Appl Optics 15: 1960-1965.

Diem, M.; Diem, M. J.; et al. (1976). “Raman Optical Activity in 1-Halogeno-2-methylbutanes: Observation of Conformer Dependent Circular Intensity Differentials in Carbon-Halogen Stretching Modes.” JCS Chem Comm: 1028-1030.

Diem, M. (1976). “Raman optical activity and vibrational studies of chiral molecules.” Univ. Toledo, OH, US. Field URL: 166 pp.

Keiderling, T. A.; Stephens, P. J. (1976). “Vibrational Circular Dichroism in Overtone and Combination Bands.” Chem Phys Lett 41: 46-48.

Krikorian, S. E.; Andrea, T. A.; et al. (1976). “The identification and origin of amide group overtone and combination bands in the near-i.r. spectra of cis-configured lactams.” Spectrochim Acta 32A: 1447-1453.

Murthy, A. S. N.; Prasad, P. L.; et al. (1976). “CNDO/2 MO Calculations on Hydrogen Bond and Charge Transfer Interactions with Pi Electron Donors.” Adv Mol Relaxation Processes 8: 63.

Nafie, L. A.; Keiderling, T. A.; et al. (1976). “Vibrational Circular Dichroism.” J Am Chem Soc 98: 2715-2723.

Nafie, L. A.; Pastor, R. W.; et al. (1976). “Observations of the Raman Anti-Resonance Effect in Synthetic Metal (II) Porphyrin Analogues.” Proceedings of the Fifth International Conference on Raman Spectroscopy. E. Schmid and e. al. Freiburg, H. Schulz: 330-331.

Nafie, L. A.; Pastor, R. W.; et al. (1976). “Resonance Raman Studies of Macrocyclic Complexes II. Anti-Resonance and Selective Intensity Enhancement in Synthetic Metal (II) Porphyrin Analogues.” J Am Chem Soc 98: 8007-8014.

Prasad, P. L.; Singh, S. (1976). “Calculation of Electro Optical Parameters: Application to X2CZ Molecules.” Can J Chem 54: 1550.

Schaack, G. (1976). “Observation of Circularly Polarized Phonon States in an External Magnetic Field.” J Phys C: Solid State Phys 9: L297-L301.

Sugeta, H.; Marcott, C.; et al. (1976). “Infrared Circular Dichroism associated with the C-H Stretching Vibration of Tartaric Acid.” Chem Phys Lett 40: 397-398.

Albrecht, M. G.; Creighton, J. A. (1977). “Anomalously Intense Raman Spectra of Pyradine at a Silver Electrode.” J Am Chem Soc 99: 5215-5217.

Barron, L. D. (1977). “Raman Optical Activity of Camphor and Related Molecules.” JCS Perkin II: 1074-1079.

Barron, L. D. (1977). “Raman Optical Activity due to Isotopic Substitution: [a-2H]Benzyl Alcohol.” JCS Chem Comm: 305-306.

Barron, L. D. (1977). “Raman Optical Activity of Simple Chiral Molecules; Methyl and Trifluoromethyl Asymmetric Dedformations.” JCS Perkin II: 1790-1794.

Barron, L. D. (1977). “Magnetic Resonance Raman Optical Activity of Ferrocytochrome c at Different Laser Wavelengths.” Mol Phys 46(3): 579-581.

Blazej, D. C.; Peticolas, W. L. (1977). Proc Natl Acad Sci USA 74: 2639.

Boucher, H. ; Brocki, T. R.; et al. (1977). “Vibrational Optical Activity. Circular Differential Raman Scattering from a Series of Chiral Sulfoxides.” J Am Chem Soc 99(21): 6870-6873.

Dabrowiak, J. C.; Nafie, L. A.; et al. (1977). “Accessibility of Manganese Oxidation States. Control by Pentaazo Macrocyclic Ligands.” Inorg Chem 16: 540-544.

Diem, M.; Gotkin, P. J.; et al. (1977). “Vibrational Circular Dichroism in Amino Acids and Peptides. 1. Alanine.” J Am Chem Soc 99: 8103-8104.

Faulkner, T. R.; Marcott, C.; et al. (1977). “Anharmonic Effects in Vibrational Circular Dichroism.” J Am Chem Soc 99: 8160-8168.

Henry, B. R. (1977). “Use of local modes in the description of highly vibrationally excited molecules.” Acc Chem Res 10(6): 207-13.

Jeanmarie, D. J.; VanDuyne, R. P. (1977). J Electroanal Chem 84: 1-20.

Johnson, B. B.; Nafie, L. A.; et al. (1977). “Calculation of Excitation Profiles from the Vibronic Theory for Raman Scattering.” Chem Phys 19: 303-311.

Marcott, C.; Faulkner, T. R.; et al. (1977). “Vibrational Circular Dichroism in HCBrClF and DCBrClF. Calculation of the Rotational Strengths Associated with the Fundamentals and the Binary Overtones and Combinations.” J Am Chem Soc 99: 8169-8175.

Nafie, L. A.; Walnut, T. H. (1977). “Vibrational Circular Dichroism Theory: A Localized Molucular Orbital Model.” Chem Phys Lett 49: 441-446.

Pande, P. K. K.; Chandra, P.; et al. (1977). “Dipole Moment Derivatives from MINDO/3 Semi Empirical MO Calculations.” Chem Phys Lett 49: 353.

Pieroni, O.; Fissi, A.; et al. (1977). “Chiroptical Properties and Conformation of Dehydrophenylalanine Peptides.” J Am Chem Soc 15: 22-28.

Prasad, P. L.; Singh, S. (1977). “Infrared Band Intensities and Polar Tensors: Properties of Effective Charge and Its Relation to the Sign of Dipole Moment Derivatives.” J Chem Phys 66: 1621.

Prasad, P. L.; Singh, S. (1977). “Infrared Intensities. A Comprehensive Quantitative Analysis for Transition Metal Carbonyls.” J Chem Phys 67: 4384.

Rawlings, J., P. J. Stephens, et al. (1977). “Near-Infrared Magnetic Circular Dichroism of Cytochrome c.” Biochemistry 16: 1725-1729.

Waki, H.; Higuchi, S.; et al. (1977). “Differential Raman Scattering of Right and Left Circularly Polarized Light by Optically Active Molecules.” J Spectrosc Soc Japan 26(5): 272-276.

Walnut, T. H.; Nafie, L. A. (1977). “Infrared Absorption and the Born-Oppenheimer Approximation I. Vibrational Intensity Expressions.” J Chem Phys 67: 1491-1500.

Walnut, T. H.; Nafie, L. A. (1977). “Infrared Absorption and the Born-Oppenheimer Approximation II. Vibrational Circular Dichroism.” J Chem Phys 67: 1501-1510.

Warshel, A.; Dauber, P. (1977). „Calculations of resonance Raman spectra of conjugated molecules.” J Chem Phys 66: 5477.

Barron, L. D. (1978). “Raman Optical Activity due to Isotopic Substitution: (1S)-4,4-Dideuterioadamantan-2-one.” JCS Chem Comm: 259-260.

Barron, L. D. (1978). “Raman Optical Activity of Tartaric Acid and Related Molecules.” Tetrahedron 34: 607-610.

Barron, L. D. (1978). “Raman Optical Activity.” Adv Infrared & Raman Spectrosc 4: 271-33.

Bender, M. L.; Komiyama, J. (1978). Cyclodextrin Chemistry. New York, Springer-Verlag.

Craig, D. P.; Thirunamachandran, T. (1978). “A Theory of Vibrational Circular Dichroism in terms of Vibronic Interactions.” Mol Phys 35: 825-840.

Diem, M.; Nafie, L. A.; et al. (1978). “Analysis of the Gas Phase Infrared Spectrum of Bromochlorofluoromethane: Calculated and Observed Band Contours and Intensities.” J Mol Spectrosc 71: 446-457.

Diem, M.; Gotkin, P. J.; et al. (1978). “Vibrational Circular Dichroism in Amino Acids and Peptides. 2. Simple Alanyl Peptides.” J Am Chem Soc 100: 5644-5650.

Marcott, C.; Havel, H. A.; et al. (1978). “Vibrational circular dichroism and individual chiral centers. An example from the sugars.” J Am Chem Soc 100(22): 7088-9.

Prasad, P. L. (1978). “Infrared Intensities: Acetylene.” J Phys Chem 82: 312.

Prasad, P. L. (1978). “Infrared Intensities: Polar Tensors and Charge Flux Parameters.” J Chem Phys 69: 4403.

Barron, L. D.; Buckingham, A. D. (1979). “The Inertial Contribution to Vibrational Optical Activity in Methyl Torsion Modes.” J Am Chem Soc 101(8): 1979-1987.

Barron, L. D.; Meehan, C. (1979). “Magnetic Optical Activity in the Resonance Raman Spectra of Metal Halides: Optical Detection of Ground-State Zeeman Splitting.” Chem Phys Lett 66(3): 444-448.

Barron, L. D. (1979). “Raman optical activity.” NATO Advanced Study Institutes Series, Series C: Mathematical and Physical Sciences 48(Opt Act Chiral Discrim): 219-262.

Barron, L. D.; Clark, B. P. (1979). “Raman Optical Activity of Menthol and Related Molecules.” JCS Perkin II: 1164-1170.

Barron, L. D.; Clark, B. P. (1979). “Raman Optical Activity of (+)-1-Phenylethyl Isocyanate.” J Chem Research(s): 36-37.

Barron, L. D. and B. P. Clark (1979). “Raman Optical Activity of Pinenes, Carenes, and Related Molecules.” JCS Perkin II: 1171-1175.

Creighton, J. A.; Blatchford, C. G.; et al. (1979). “Plasma Resonance Enhnacement of Raman Scattering by Pryidine Adsorbed on Silver or Gold Sol Particles of Size Comparable to the Excitation Wavelength.” J Chem Soc Faraday Trans 2 75: 790-798.

Diem, M.; Photos, E.; et al. (1979). “Vibrational Circular Dichroism in Amino Acids and Peptides. 3. Solution and Solid Phase Spectra of Serine and Alanine.” J Am Chem Soc 101: 6829-6837.

Hansen, H. J.; Sliwka, H. R.; et al. (1979). “The Absolute Configuration of 1-Methylindane.” Helvetica Chem. Acta. 64(4): 1120-1128.

Hug, W.; Surbeck, H. (1979). “Vibrational Raman Optical Activity Spectra Recorded in Perpendicular Polarization.” Chem Phys Lett 60(2): 186-192.

Marcott, C.; Havel, H. A.; et al. (1979). Optical Activity and Chiral Discrimination. Ed. S. F. Mason. New York, Reidel: 289.

Nafie, L. A.; Diem, M. (1979). “Theory of High Frequency Differential Interferometry: Application to Infrared Circular and Linear Dichroism via Fourier Transform Spectroscopy.” Appl Spectrosc 33: 130-135.

Nafie, L. A.; Diem, M.; et al. (1979). “Fourier Transform Infrared Vibrational Circular Dichroism.” J Am Chem Soc 101: 496-498.

Nafie, L. A.; Diem, M. (1979). “Optical Activity in Vibrational Transitions: Vibrational Circular Dichroism and Raman Optical Activity.” Acc Chem Res 12: 296-302.

Nafie, L. A.; Prasad, P. L.; et al. (1979). “Vibrational Circular Dichroism in Peptides.” Polymer Preprints 20(2): 85-89.

Nafie, L. A.; Vidrine, D. W. (1979). “Differential Absorption at High Modulation Frequencies Using a Fourier Transform Infrared Spectrometer.” Proc Soc Photo Inst Eng 191: 56-63.

Prasad, P. L.; Nafie, L. A. (1979). “The Atom Dipole Interaction Model of Raman Optical Activity: Reformulation and Comparison to the Two-Group Model.” J Chem Phys 70: 5582-5588.

Prasad, P. L. (1979). “Infrared Intensities: Interpretation of Atomic Polar Tensors.” J Phys Chem 83: 1744.

Prasad, P. L.; Nafie, L. A.; et al. (1979). “Raman Optical Activity: Spectral Simulation of the Conformer Dependent C-C1 Stretching Vibrations in 1-Chloro-2-methylbutane.” J Raman Spec 8(5): 255-258.

Prasad, P. L.; Burow, D. F. (1979). “Raman Optical Activity. Computation of Circular Intensity Differentials by the Atom-Dipole Interaction Model.” J Am Chem Soc 101(4): 800-805.

Prasad, P. L.; Burow, D. F. (1979). “Rman Optical Activity: Computation of Circular Intensity Differentials for Bromochlorofluoromethane.” J Am Chem Soc 101(4): 806-812.

Prasad, P. L.; Nafie, L. A. (1979). “The Atom Dipole Interaction Model of Raman Optical Activity: Reformulation and Comparison to the General Two-Group Model.” J Chem Phys 70(12): 5582-5588.

Richardson, F. S. (1979). “Circular Polarization Differentials in the Luminescence of Chiral Systems.” Optical Acitivity and Chiral Discrimination. S. F. Mason. Dordrecht, D. Reidel Pubishing Co.: 189-217.

Stephens, P. J.; Clark, R. (1979). Optical Activity and Chiral Discrimination. S. F. Mason. Dordrecht, D. Reidel: 219.

Tonks, D. L.; Page, J. B. (1979). “First-order resonance Raman profile lineshapes from optical absorption lineshapes — a consistency test of standard theoretical assumptions.” Chem Phys Lett 66(3): 449.

Andrews, D. L. (1980). “Rayleigh and Raman Optical Activity: An Analysis of the Dependence on Scattering Angle.” J Chem Phys 72(7): 4141-4144.

Barron, L. D. (1980). “Raman Optical Activity: A New Probe of Stereochemistry and Magnetic Structure.” Accounts Chem Res 13: 90-96.

Barron, L. D. (1980). “Raman optical activity. Spectroscopy for the study of chiral molecules in magnetic fields.” Am Lab 12(3): 64, 66-68, 71-73.

Bjarnason, J. O.; Andersen, H. C. (1980). “Quantum Theory of Coherent Raman Scattering by Optically Active Isotropic Materials.” J Chem Phys 72(7): 4132-4140.

Blazej, D. C.; Peticolas, W. L. (1980). “Ultraviolet Resonance Raman excitation profiles of pyrimidine nucleotides.” J Chem Phys 72: 3134.

Brocki, T.; Moskovits, M.; et al. (1980). “Vibrational Optical Activity. Circular Differential Raman Scattering from a Series of Chiral Terpenes.” J Am Chem Soc 102(2): 495-450.

Hansen, A. E.; Bouman, T. C. (1980). “Natural Chiroptical Spectroscopy: Theory and Application.” Adv Chem Phys. I. Prigogine and S. A. Rice. New York, John Wiley & Sons. 44: 545-644.

Hug, W.; Kamatari, A.; et al. (1980). “The Vibrational Raman Optical Activity of Deuteratd 1-Methylindanes.” Chem Phys Lett 76(3): 469-474.

Imaino, W.; Ramdas, A. K.; et al. (1980). “Linear Wave-Vector Dependence of Optical Phonon Frequencies in Bismuth Germanium Oxide in the Vicinity of the Brillouin Zone Center.” Phys Rev B 22(12): 5679-5696.

Nafie, L. A.; Polavarapu, P. L.; et al. (1980). “Vibrational Optical Activity in Perturbed Degenerate Modes: Concepts and Model Calculations in 1-Substituted Haloethanes.” J Chem Phys 73: 3530-3540.

Polavarapu, P. L.; Diem, M.; et al. (1980). “Vibrational Optical Activity in Para-Substituted 1-Methylcyclo-hex-1-enes.” J Am Chem Soc 102: 5549-5453.

Polavarapu, P. L.; Nafie, L. A. (1980). “Vibrational Optical Activity: Comparison of Theoretical and Experimental Results for (+)-(3R)-Methylcyclohexanone.” J Chem Phys 73: 1567-1575.

Prasad, P. L.; Nafie, L. A. (1980). “Experimental Observations and Theoretical Predictions of Raman Optical Activity.” Proceedings of the VIIIth International Conference on Raman Spectroscopy. W. F. Murphy. New York, North-Holland: 252-253.

Srinivasan, K.; Kamatari, A.; et al. (1980). “The vibrational raman optical activity of the methyl group.” C. R.- Conf Int Spectrosc Raman, 7th: 254-255.

Su, C. N.; Heintz, V. J.; et al. (1980). “Vibrational Circular Dichroism in the Mid-Infrared.” Chem Phys Lett 73: 157-159.

Su, C. N.; Keiderling, T. A. (1980). “Conformation of Dimethyl Tartrate in Solution. Vibrational Circular Dichroism Results.” J Am Chem Soc 102: 511-515.

Tinoco, I.; Bustamante, C. (1980). “The Optical Activity of Nuclei Acids and Their Aggregates.” Ann Rev Biophys Bioeng 9: 107-141.

Waki, H.; Higuchi, S.; et al. (1980). “Raman Circular Intensity Differential Spectra of Some Chiral Compounds with Related Structures.” Spectrochimica Acta 36A: 659-664.

Barron, L. D.; Vrbancich, J. (1981). “Temperature Dependence of the Low-Frequency Vibrational Optical Activity of a-Phellandrene.” JCS Chem Comm: 771-772.

Cuony, B.; Hug, W. (1981). “A Sum Rule for Vibrational Raman Optical Activity.” Chem Phys Lett 83(1): 131-134.

Gohin, A.; Moskovits, M. (1981). “A Two-Group Model for Raman Optical Activity. Application to Methylene Vibrations.” JACS 103: 1660-1664.

Gorban, I. S.; Grishchuk, V. P.; et al. (1981). “Circular Dichroism in Raman Scattering of Light by Class 4 Crystals.” Sov Phys Solid State 23(5): 866-867.

Havel, H. A. (1981). “Vibrational circular dichroism studies in the carbon-hydrogen and carbon-deuterium stretching regions.” Univ. Minnesota, Minneapolis, MN, USA.: 256 pp.

Henry, B. R. (1981). “The local mode model.” Vib Spectra Struct 10: 269-319.

Hug, W. (1981). “Optical Artefacts and Their Control in Raman Circular Difference Scattering Measurements.” Appl Spectrosc 35(1): 115-124.

Isabel, M. B.; Figueiredo, D.; et al. (1981). “A Molecular Theory of New Differential Light Scattering Effects in a Fluid.” Proc R Soc Lond A375: 425-441.

Krikorian, S. E. (1981). “The influence of hydrogen-bonded association on the character of the near-i.r. spectra of simple cis- and trans-configured secondary amides.” Spectrochim Acta 37A: 745-751.

Nafie, L. A. (1981). “Infrared and Raman Vibrational Optical Activity.” Vibrational Spectra and Structure. J. R. Durig. Amsterdam, Elsevier. 10: 153-225.

Nafie, L. A.; Lipp, E. D.; et al. (1981). “Fourier Transform Infrared Circular Dichroism: A Double Modulation Approach.” Proceedings of the 1981 International Conference on Fourier Transform Infrared Spectroscopy. J. Sakal, SPIE. 289: 457-468.

Nafie, L. A.; Freedman, T. B. (1981). “A Unified Approach to the Determination of Infrared and Raman Vibrational Optical Activity Intensities Using Localized Molecular Orbitals.” J Chem Phys 75: 4847-4851.

Nafie, L. A.; Polavarapu, P. L. (1981). “Localized Molecular Orbital Calculations of Vibrational Circular Dichroism. I. General Theoretical Formalism and CNDO Results for the Carbon Deuterium Stretching Vibration in Neopentyl-1-d-chloride.” J Chem Phys 75: 2935.

Polavarapu, P. L.; Nafie, L. A.; et al. (1981). “Optical Activity Due to Isotopic Substitution. Vibrational Circular Dichroism and the Absolute Configuration of a-Deuterated Cyclohexanones.” J Am Chem Soc 103: 5349-5354.

Polavarapu, P. L.; Nafie, L. A. (1981). “Localized Molecular Orbital Calculations of Vibrational Circular Dichroism. II. CNDO Formulation and Results for the Hydrogen Stretching Vibrations of (+)-(3R)-Methylcyclohexanone.” J Chem Phys 75: 2945.

Sage, M. L.; Jortner, J. (1981). “Bond modes.” Adv Chem Phys 47: 293-322.

Singh, R. D.; Keiderling, T. A. (1981). “Vibrational Circular Dichroism of Six-Membered Ring Monoterpenes. Consistent Force Field, Fixed Partial Charge Calculations.” J Am Chem Soc 103: 2387-2394.

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Andrushchenko, V.; Leonenko, Z.; Cramb, D.; van de Sande, H.; Wieser, H. (2001). “Vibrational CD (VCD) and atomic force microscopy (AFM) study of DNA interaction with Cr3+ ions: VCD and AFM evidence of DNA condensation.” Biopolymers 61(4): 243-260.

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Blanch, E. W.; Hecht, L.; et al. (2001). “Tryptophan absolute stereochemistry in viral coat proteins from Raman optical activity.” J Am Chem Soc 123(20): 4863-4864.

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Hilario, J.; Drapcho, D.; et al. (2001). “Polarization modulation fourier transform infrared spectroscopy with digital signal processing: comparison of vibratinal circular dichroism methods.” Appl Spectrosc 55(11): 1435-1447.

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Setnicka, V.; Urbanova, M.; et al. (2001). “Vibrational Circular Dichroism of 1,1′-Binaphthyl Derivatives: Experimental and Theoretical Study.” J Phys Chem A 105(39): 8931-8938.

Shah, R. D.; Nafie, L. A. (2001). “Spectroscopic methods for determining enantiomeric purity and absolute configuration in chiral pharmaceutical molecules.” Curr Opin Drug Disc and Devel 4: 764-775.

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Solladié-Cavallo, A.; Balaz, M.; et al. (2001). “A New Chiral Oxathiane : Synthesis, Resolution and Absolute Configuration Determination by Vibrational Circular Dichroism.” Tetrahedron Asymmetry 12(18): 2605-2611.

Solladié-Cavallo, A.; Sedy, O.; et al. (2001). “A New Chiral Iminolactone: Asymmetric Synthesis, Structure and VCD Absolute Configuration.” Tetrahedron Asymmetry: (in press).

Stephens, P. J.; Aamouche, A.; et al. (2001). “Determination of Absolute Configuration Using Vibrational Circular Dichroism Spectroscopy: The Chiral Sulfoxide 1-(2-methylnaphthyl) Methyl Sulfoxide.” J Org Chem 66(11): 3671-3677.

Tanaka, T.; Inoue, K.; et al. (2001). “Conformational study of poly[?-(?-phenethyl)-L-glutamate] using vibrational circular dichroism spectroscopy.” Biopolymers 62(4): 228-234.

Urbanova, M.; Setnicka, V.; Kraj, V.; Volka, K. (2001). “Noncovalent interactions of peptides with porphyrins in aqueous solution: conformational study using vibrational CD spectroscopy.” Biopolymers 60(4): 307-316.

Wang, F.; Polavarapu, P. L. (2001). “Temperature influence on the Secondary Structure of Avidin and Avidin-Biotin Complex: A Vibrational Circular Dichroism Study.” J Phys Chem B 105(32): 7657-7864.

Wang, F.; Polavarapu, P. L. (2001). “Predominant Conformations of (2R,3R)-(-)-2.3-Butanediol.” J Phys Chem A 105(29): 6991-6997.

Wang, F.; Polavarapu, P. L.; et al. (2001). “Absolute Configuration and Conformational Stability of (+)-2.5-Dimethylthiolane and (-)-2.5-Dimethylsulfolane.” J Org Chem 66(10): 3507-3512.

Wang, F.; Polavarapu, P. L.; Drabowicz, J.; Mikolajczyk, M.; Lyzwa, P. (2001). “Absolute Configurations, Predominant Conformations, and Tautomeric Structures of Enantiomeric tert-Butylphenylphosphinothioic Acid.” J Org Chem 66(26): 9015-9019.

Zhao, C.; Polavarapu, P. L. (2001). “Vibrational circular dichriosm of gramicidin D in vesicles and micelles.” Biopolymers 62(6): 336-340.

Zhao, C.; Polavarapu, P. L. (2001). “Comparative evaluation of vibrational circular dichroism and optical rotation for determination of enantiomeric purity.” Appl Spectrosc 55(7): 913-918.

Abdali, S.; Jalkanen, K. J.; Bohr, H.; Suhai, S.; Nieminen, R. M. (2002). “The VA and VCD spectra of various isotopomers of L-alanine in aqueous solution.” Chem Phys 282(2): 219-235.

Andrushchenko, V.; Wieser, H.; Bour, P. (2002). “B-Z Conformational Transition of DNA Monitored by Vibrational Circular Dichroism. Ab Initio Interpretation of the Experiment.” J Phys Chem B 106(48): 12623-12634.

Andrushchenko, V.; Blagoi, Y.; Van de Sande, J. H.; Wieser, H. (2002). “Poly(rA)? poly(rU) with Ni2+ ions at different temperatures: infrared absorption and vibrational circular dichroism spectroscopy.” J Biomolec Struct & Dyn 19(5): 889-906.

Barron, L. D.; Blanch, E. W.; Bell, A. F.; Syme, C. D.; Hecht, L.; Day, L. A. (2002). “New insight into solution structure and dynamics of proteins, nucleic acids, and viruses from Raman optical activity.” ACS Symposium Series 810(Chirality: Physical Chemistry): 34-49.

Barron, L. D.; Blanch, E. W.; Hecht, L. (2002). “Unfolded proteins studied by Raman optical activity.” Advances in Protein Chemistry 62(Unfolded Proteins): 51-90, 1 plate.

Berthier, D.; Buffeteau, T.; Leger, J.; Oda, R.; Huc, I. (2002). “From chiral counterions to twisted membranes.” J Am Chem Soc 124(45): 13486-94.

Blanch, E. W.; Robinson, D. J.; Hecht, L.; Syme, C. D.; Nielsen, K.; Barron, L. D. (2002). “Solution structures of potato virus X and narcissus mosaic virus from Raman optical activity.” Journal of General Virology 83(1): 241-246.

Blanch, E. W.; Hecht, L.; Syme, C. D.; Volpetti, V.; Lomonossoff, G. P.; Nielsen, K.; Barron, L. D. (2002). “Molecular structures of viruses from Raman optical activity.” Journal of General Virology 83(10): 2593-2600.

Bochicchio, B.; Tamburro, A. M. (2002). “Polyproline II structure in proteins: identification by chiroptical spectroscopies, stability, and functions.” Chirality 14(10): 782-792.

Bodack, L. A. (2002). “Solution conformations of tripeptides and cyclosporins using vibrational circular dichroism and computational methods.” Syracuse Univ., Syracuse, NY, USA. Avail. UMI, Order No. DA3055958 (2001): 275. From: Diss Abstr Int, B 63(6): 2852.

Borics, A.; Murphy, R. F.; Lovas, S. (2002). “Fourier transform vibrational circular dichroism as a decisive tool for conformational studies of peptides containing tyrosyl residues.” Biopolymers 72(1): 21-24.

Bour, P.; Sychrovsky, V.; Malon, P.; Hanzlikova, J.; Baumruk, V.; Pospisek, J.; Budesinsky, M. (2002). “Conformation of the Dipeptide Cyclo(L-Pro-L-Pro) Monitored by the Nuclear Magnetic Resonance and Raman Optical Activity Spectra. Experimental and ab Initio Computational Study.” J Phys Chem A 106(32): 7321-7327.

Bour, P.; Navratilova, H.; Setnicka, V.; Urbanova, M.; Volka, K. (2002). “(3R,4S)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine: Conformation and Structure Monitoring by Vibrational Circular Dichroism.” J Org Chem 67(1): 161-168.

Buergi, T.; Vargas, A.; Baiker, A. (2002). “VCD spectroscopy of chiral cinchona modifiers used in heterogeneous enantioselective hydrogenation: conformation and binding of non-chiral acids.” J Chem Soc, Perkin Transactions 2(9): 1596-1601.

Bychkov, S. S.; Grishanin, B. A.; Zadkov, V. N.; Takahashi, H. (2002). “Laser coherent control of molecular chiral states via entanglement of the rotational and torsional degrees of freedom.” J Raman Spectrosc 33(11/12): 962-973.

Cao, H.; Chen, C.; Teng, B.; Wang, X.; Liu, X.; Zhang, W. (2002). “Vibrational absorption and circular dichroism of chiral rigid cyclic oligomers containing 1,1′-bi-2-naphthyl moiety.” Polymer Preprints (Am Chem Soc, Division of Polymer Chemistry) 43(2): 1254-1255.

Cappelli, C.; Corni, S.; Mennucci, B.; Cammi, R.; Tomasi, J. (2002). “Vibrational Circular Dichroism within the Polarizable Continuum Model: A Theoretical Evidence of Conformation Effects and Hydrogen Bonding for (S)-(-)-3-Butyn-2-ol in CCl4 Solution.” J Phys Chem A 106(51): 12331-12339.

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Devlin, F. J.; Stephens, P. J.; Oesterle, C.; Wiberg, K. B.; Cheeseman, J. R.; Frisch, M. J. (2002). “Configurational and Conformational Analysis of Chiral Molecules Using IR and VCD Spectroscopies: Spiropentylcarboxylic Acid Methyl Ester and Spiropentyl Acetate.” J Org Chem 67(23): 8090-8096.

Devlin, F. J.; Stephens, P. J.; Scafato, P.; Superchi, S.; Rosini, C. (2002). “Conformational Analysis Using Infrared and Vibrational Circular Dichroism Spectroscopies: The Chiral Cyclic Sulfoxides 1-Thiochroman-4-one S-Oxide, 1-Thiaindan S-Oxide and 1-Thiochroman S-Oxide.” J Phys Chem A 106(44): 10510-10524.

Devlin, F. J.; Stephens, P. J.; Scafato, P.; Superchi, S.; Rosini, C. (2002). “Determination of absolute configuration using vibrational circular dichroism spectroscopy: the chiral sulfoxide 1-thiochromanone S-oxide.” Chirality 14(5): 400-406.

Dobrowolski, J. C..; Mazurek, A. P. (2002). “On theoretical VCD, IR and Raman spectra of model chiral right-hand trefoil knots.” J Mol Struct 616(1-3): 267.

Doebler, J.; Peters, N.; Larsson, C.; Bergman, A.; Geidel, E.; Huehnerfuss, H. (2002). “The absolute structures of separated PCB-methylsulfone enantiomers determined by vibrational circular dichroism and quantum chemical calculations.” THEOCHEM 586: 159-166.

Dyatkin, A. B.; Freedman, T. B.; Cao, X.; Dukor, R. K.; Maryanoff, B. E.; Maryanoff, C. A.; Matthews, J. M.; Shah, R. D.; Nafie, L. A. (2002). “Determination of the absolute configuration of a key tricyclic component of a novel vasopressin receptor antagonist by use of vibrational circular dichroism.” Chirality 14(2/3): 215-219.

Eker, F.; Cao, X.; Nafie, L.; Schweitzer-Stenner, R. (2002). “Tripeptides Adopt Stable Structures in Water. A Combined Polarized Visible Raman, FTIR, and VCD Spectroscopy Study.” J Amer Chem Soc 124(48): 14330-14341.

Fan, B.; Miao, Z.; Wang, W.; Wei, M. (2002). “New insight on Salam phase transition in amino acids. Optical rotation angle as a probe of molecular chirality.” Los Alamos National Laboratory, Preprint Archive, Physics: 1-13.

Freedman, T. B.; Lee, E.; Zhao, T. (2002). “Vibrational transition current density: visualizing the origin of vibrational circular dichroism and infrared intensities.” ACS Symposium Series 810(Chirality: Physical Chemistry): 65-78.

Freedman, T. B.; Dukor, R. K.; van Hoof, P. J.; Kellenbach, E. R.; Nafie, L. A. (2002). “Determination of the absolute configuration of (-)-mirtazapine by vibrational circular dichroism.” Helvetica Chimica Acta 85(4): 1160-1165.

Freedman, T. B.; Cao, X.; Young, D. A.; Nafie, L. A. (2002). “Density Functional Theory Calculations of Vibrational Circular Dichroism in Transition Metal Complexes: Identification of Solution Conformations and Mode of Chloride Ion Association for (+)-Tris(ethylenediaminato)cobalt(III).” J Phys Chem A 106(14): 3560-3565.

Frimand, K.; Jalkanen, K. J. (2002). “SCC-TB, DFT/B3LYP, MP2, AM1, PM3 and RHF study of ethylene oxide and propylene oxide structures, VA and VCD spectra.” Chem Phys 279(2-3): 161-178.

Hilario, J.; Kubelka, J.; Syud, F. A.; Gellman, S. H.; Keiderling, T. A. (2002). “Spectroscopic characterization of selected ? -sheet hairpin models.” Biopolymers 61(3): 233-236.

Hilario J.; Kubelka J.; Syud F. A.; Gellman S. H.; Keiderling T. A. (2002). “Spectroscopic characterization of selected beta- sheet hairpin models.” Biopolymers 67(4-5): 233-6.

Holly, S.; Egyed, O.; et al. (2002). “Assignment Problems of amino acids, di- and tripeptides and protein in the near infrared region.” Spectrochim. Acta 48A: 101-109.

Keiderling, T. A. (2002). “Protein and peptide secondary structure and conformational determination with vibrational circular dichroism.” Current Opinion in Chemical Biology 6(5): 682-688.

Keiderling, T. A.; Xu, Q. (2002). “Unfolded peptides and proteins studied with infrared absorption and vibrational circular dichroism spectra.” Advances in Protein Chemistry 62(Unfolded Proteins): 111-161.

Kubelka, J. (2002). “Vibrational spectroscopic studies of peptide and protein structures: theory and experiment.” Univ. of Illinois, Chicago, IL, USA. Avail. UMI, Order No. DA3047860 (2002): 455. From: Diss Abstr Int, B 63(3): 1214.

Kubelka, J.; Bour, P.; Silva, R. A.; Decatur, S. M.; Keiderling, T. A. (2002). “Chirality in peptide vibrations: ab initio computational studies of length, solvation, hydrogen bond, dipole coupling, and isotope effects on vibrational CD.” ACS Symposium Series 810(Chirality: Physical Chemistry): 50-64.

Kubelka, J.; Gangani, R. A.; Silva, D.; Keiderling, T. A. (2002). “Discrimination between Peptide 310- and ? -Helices. Theoretical Analysis of the Impact of ? -Methyl Substitution on Experimental Spectra.” J Am Chem Soc 124(19), 5325-5332.

Lockwood, D. J.; Hoffman, K. R.; Yen, W. M. (2002). “Magnetic Raman optical activity in FeF2.” Journal of Luminescence 100(1-4): 147-154.

Nafie, L. A.; Dukor, R. K.; et al. (2002). “Vibrational Circular Dichroism.” Handbook of Vibrational Spectroscopy. J. M. Chalmers and P. R. Griffiths. Chichester, John Wiley & Sons: 731-744.

Nafie, L. A.; Dukor, R. K. (2002). “The use of dual polarization modulation in vibrational circular dichroism spectroscopy.” ACS Symp Series 810(Chirality: Physical Chemistry): 79-88.

Pecul, M.; Rizzo, A.; Leszczynski, J.. (2002). “Vibrational Raman and Raman Optical Activity Spectra of D-Lactic Acid, D-Lactate, and D-Glyceraldehyde: Ab Initio Calculations.” J Phys Chem A 106(46): 11008-11016.

Polavarapu, P. L. (2002). “The absolute configuration of bromochlorofluoromethane.” Angewandte Chemie, International Edition 41(23): 4544-4546.

Ruud, K.; Helgaker, T.; Bour, P. (2002). “Gauge-Origin Independent Density-Functional Theory Calculations of Vibrational Raman Optical Activity.” J Phys Chem A 106(32): 7448-7455.

Setnicka, V.; Urbanova, M.; Pataridis, S.; Kral, V.; Volka, K. (2002). “Sol-gel phase transition of brucine-appended porphyrin gelator: a study by vibrational circular dichroism spectroscopy.” Tetrahedron: Asymmetry 13(24): 2661-2666.

Setnicka, V.; U., M.; Kral, V.; Volka, K. (2002). “Interactions of cyclodextrins with aromatic compounds studied by vibrational circular dichroism spectroscopy.” Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 58A(13): 2983-2989.

Shin, S.; Hirakawa, A. Y.; Hamada, Y. (2002). “Vibrational circular dichroism spectra of 1-amino-2-propanol.” Enantiomer 7(4-5): 191-196.

Silva, R. A. G. D.; Yasui, Sritana C.; Kubelka, J.; Formaggio, F.; Crisma, M.; Toniolo, C.; Keiderling, T. A. (2002). “Discriminating 310- from ? -helices: vibrational and electronic CD and IR absorption study of related Aib-containing oligopeptides.” Biopolymers 65(4): 229-243.

Solladie-Cavallo, A.; Marsol, C.; Pescitelli, G.; Di Bari, L.; Salvadori, P.; Huang, X.; Fujioka, N.; Berova, N.; Cao, X.; Freedman, T. B.; Nafie, L. A. (2002). ” (R)-(+)- and (S)-(-)-1-(9-phenanthryl)ethylamine: assignment of absolute configuration by CD tweezer and VCD methods, and difficulties encountered with the CD exciton chirality method.” Euro J Org Chem (11): 1788-1796.

Stephens, P. J.; Devlin, F. J.; Aamouche, A. (2002). “Determination of the structures of chiral molecules using Vibrational Circular Dichroism spectroscopy.” ACS Symp Series 810(Chirality: Physical Chemistry): 18-33.

Syme, C. D.; Blanch, E. W.; Holt, C.; Jakes, R.; Goedert, M.; Hecht, L.; Barron, L. D. (2002). “A Raman optical activity study of rheomorphism in caseins, synucleins and tau. New insight into the structure and behaviour of natively unfolded proteins.” Euro J Biochem 269(1): 148-156.

Urbanova, M.; Setnicka, V.; Bour, P.; Navratilova, H.; Volka, K. (2002). “Vibrational circular dichroism spectroscopy study of paroxetine and femoxetine precursors.” Biopolymers 67(4-5): 298-301.

Urbanova, M.; Setnicka, V.; Bour, P.; Navratilova, H.; Volka, K. (2002). “Vibrational circular dichroism spectroscopy study of paroxetine and femoxetine precursors.” Biopolymers 61(3): 298-301.

Urbanova, M.; Setnicka, V.; Volka, K. (2002). “Vibrational circular dichroism spectroscopy as a novel tool for structure analysis.” Chemicke Listy 96(5): 301-304.

Wang, F.; Polavarapu, P. L.; Lebon, F.; Longhi, G.; Abbate, S.; Catellani, M. (2002). “Conformational Analysis of (S)-(+)-1-Bromo-2-methylbutane and the Influence of Bromine on Conformational Stability.” J Phys Chem A 106(51): 12365-12369.

Wang, F.; Polavarapu, P. L.; Schurig, V.; Schmidt, R. (2002). “Absolute configuration and conformational analysis of a degradation product of inhalation anesthetic Sevoflurane: a vibrational circular dichroism study.” Chirality 14(8): 618-624.

Wang, F.; Wang, Y.; Polavarapu, P. L.; Li, T.; Drabowicz, J.; Pietrusiewicz, K. M.; Zygo, K. (2002). “Absolute Configuration of tert-Butyl-1-(2-methylnaphthyl)phosphine Oxide.” J Org Chem 67(18): 6539-6541.

Zhao, C.; Polavarapu, P. L. (2002). “Conformational study of gramicidin D in organic solvents in the presence of cations using vibrational circular dichroism.” ACS Symposium Series 810(Chirality: Physical Chemistry): 89-101.

Andrushchenko, V.; Tsankov, D.; Wieser, H. (2003). “Vibrational circular dichroism spectroscopy and the effects of metal ions on DNA structure.” J Mol Struct: 661-662, 541-560.

Andrushchenko, V.; Van De Sande, J. H.; Wieser, H. (2003). “Vibrational circular dichroism and IR absorption of DNA complexes with Cu2+ ions.” Biopolymers 72(5): 374-390.

Andrushchenko, V.; Van De Sande, H.; Wieser, H. (2003). “DNA interaction with Mn2+ ions at elevated temperatures: VCD evidence of DNA aggregation.” Biopolymers 69(4): 529-45.

Autschbach, J.; Ziegler, T. (2003). ” Double perturbation theory: a powerful tool in computational coordination chemistry.” Coord Chem Rev: 238-239, 83-126.

Barron, L. D.; Blanch, E. W.; McColl, I. H.; Syme, C. D.; Hecht, L.; Nielsen, K. (2003). “Structure and behaviour of proteins, nucleic acids and viruses from vibrational Raman optical activity.” Spectroscopy (Amsterdam, Netherlands) 17(2,3): 101-126.

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Blanch, E. W.; Kasarda, D. D.; Hecht, L.; Nielsen, K.; Barron, L. D. (2003). “New Insight into the Solution Structures of Wheat Gluten Proteins from Raman Optical Activity.” Biochemistry 42(19): 5665-5673.

Blanch, E. W.; Hecht, L.; Barron, L. D. (2003). “Vibrational Raman optical activity of proteins, nucleic acids, and viruses.” Methods 29(2): 196-209.

Buffeteau, T.; Desbat, B. (2003). ” Polarization modulation FT-IR spectroscopy: A novel optic method for studying molecule orientation and conformation.” Actualite Chimique (1): 18-25.

Cao, H.; Teng, B.; Liu, X.; Zhao, X.; Liu, N.; Wang, X.; Zhang, W.; Wei, Y. (2003). “Studies on vibrational circular dichroism spectroscopy of chiral cavity in rigid cyclic oligomers containing 1,1′-bi-2-naphthyl moiety.” Gaodeng Xuexiao Huaxue Xuebao 24(9): 1724-1726.

Dobrowolski, J. C. (2003). “On theoretical VCD, IR, and Raman spectra of (+)-hexahelicene in the ? (C-H) region.” J Mol Struct: 651-653, 607-614.

Donnoli, M. I.; Giorgio, E.; Superchi, S.; Rosini, C. (2003). ” Circular dichroism spectra and absolute configuration of some aryl methyl sulfoxides.” Organic & Biomolecular Chemistry 1(19): 3444-9.

Drews, H. (2003). “Circular dichroism. Chiral spectroscopy in the IR.” Nachrichten aus der Chemie 51(9): 999-1000.

Dunmire, D. A. (2003). “Experimental and theoretical measurements of vibrational circular dichroism and instrumental development of Raman optical activity.” Syracuse Univ., Syracuse, NY, USA. Avail. UMI, Order No. DA3091410 (2002): 158. From: Diss Abstr Int, B 64(5): 2205.

Eker, F.; Cao, X.; Nafie, L.; Huang, Q.; Schweitzer-Stenner, R. (2003). “The Structure of Alanine Based Tripeptides in Water and Dimethyl Sulfoxide Probed by Vibrational Spectroscopy.” J Phys Chem B 107(1): 358-365.

Ellzy, M. W.; Jensen, J. O.; Hameka, H. F.; Kay, J. G. (2003). “Correlation of structure and vibrational spectra of the zwitterion L-alanine in the presence of water: an experimental and density functional analysis.” Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 59A(11): 2619-2633.

Freedman, T. B.; Cao, X.; Rajca, A.; Wang, H.; Nafie, L. A. (2003). “Determination of Absolute Configuration in Molecules with Chiral Axes by Vibrational Circular Dichroism: A C2-Symmetric Annelated Heptathiophene and a D2-Symmetric Dimer of 1,1′-Binaphthyl.” J Phys Chem A 107(39): 7692-7696.

Freedman, T. B.; Cao, X.; Nafie, L. A.; Kalbermatter, M.; Linden, A.; Rippert, A. J. (2003). “An unexpected atropisomerically stable 1,1-biphenyl at ambient temperature in solution, elucidated by vibrational circular dichroism (VCD).” Helvetica Chimica Acta 86(9): 3141-3155.

Freedman, T. B.; Cao, X.; Dukor, R. K.; Nafie, L. A. (2003). “Absolute configuration determination of chiral molecules in the solution state using vibrational circular dichroism.” Chirality 15(9): 743-758.

Freedman, T. B.; Cao, X.; Oliveira, R. V.; Cass, Q. B.; Nafie, L. A. (2003). “Determination of the absolute configuration and solution conformation of gossypol by vibrational circular dichroism.” Chirality 15(2): 196-200.

Herse, C.; Bas, D.; Krebs, F. C.; Buergi, T.; Weber, J.; Wesolowski, T.; Laursen, B. W.; Lacour, J. (2003). “A highly configurationally stable [4]heterohelicenium cation.” Angewandte Chemie, International Edition 42(27): 3162-3166.

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Holmen, A.; Oxelbark, J.; Allenmark, S. (2003). “Direct determination of the absolute configuration of a cyclic thiolsulfinate by VCD spectroscopy.” Tetrahedron: Asymmetry 14(15): 2267-2269.

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Izumi, H.; Futamura, S.; Nafie, L. A.; Dukor, R. K. (2003). “Determination of molecular stereochemistry using vibrational circular dichroism spectroscopy: Absolute configuration and solution conformation of 5-formyl-cis,cis-1,3,5-trimethyl-3-hydroxymethylcyclohexane-1-carboxylic acid lactone.” Chemical Record 3(2): 112-119.

Izumi, H.; Yamagami, S.; Futamura, S. (2003). ” 1-Azaadamantanes: pharmacological applications and synthetic approaches.” Current Medicinal Chemistry: Cardiovascular & Hematological Agents 1(2): 99-111.

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Jalkanen, K. J.; Nieminen, R. M.; Knapp-Mohammady, M.; Suhai, S. (2003). “Vibrational analysis of various isotopomers of L-alanyl-L-alanine in aqueous solution: Vibrational absorption, vibrational circular dichroism, Raman, and Raman optical activity spectra.” Int J Quant Chem 92(2): 239-259.

Krasteva, M. (2003). “Vibrational circular dichroism spectroscopy of oligonucleotides in various structural forms.” Univ. of Calgary, Calgary, AB, Can. Avail. UMI, Order No. DANQ77021 (2002): 147. From: Diss Abstr Int, B 64(2): 730.

Kuppens, T.; Langenaeker, W.; Tollenaere, J. P.; Bultinck, P. (2003). ” Determination of the Stereochemistry of 3-Hydroxymethyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine by Vibrational Circular Dichroism and the Effect of DFT Integration Grids.” J Phys Chem A 107(4): 542-553.

Maryanoff, B. E.; McComsey, D. F.; Dukor, R. K.; Nafie, L. A.; Freedman, T. B.; Cao, X.; Day, V. W. (2003). ” Structural studies on McN-5652-X, a high-affinity ligand for the serotonin transporter in mammalian brain.” Bioorganic & Medicinal Chemistry 11(11): 2463-2470.

McColl, I. H.; Blanch, E. W.; Gill, A. C.; Rhie, A. G. O.; Ritchie, M. A.; Hecht, L.; Nielsen, K.; Barron, L. D. (2003). “A New Perspective on ? -Sheet Structures Using Vibrational Raman Optical Activity: From Poly(L-lysine) to the Prion Protein.” J Am Chem Soc 125(33): 10019-10026.

Monde, K.; Taniguchi, T.; Miura, N.; Nishimura, S. I.; Harada, N.; Dukor, R. K.; Nafie, L. A. (2003). “Preparation of cruciferous phytoalexin related metabolites, (-)-dioxibrassinin and (-)-3-cyanomethyl-3-hydroxyoxindole, and determination of their absolute configurations by vibrational circular dichroism (VCD).” Tetrahedron Letters 44(32): 6017-6020.

Nafie, L. A.; Dukor, R. K.; Roy, J. R.; Rilling, A.; Cao, X.; Bulis, H. (2003). “Observation of Fourier transform near-infrared vibrational circular dichroism to 6150 cm-1.” Appl Spectrosc 57(10): 1245-1249.

Pecul, M.; Rizzo, A. (2003). “Raman optical activity spectra: basis set and electron correlation effects.” Mol Phys 101(13): 2073-2081.

Rezanka, P.; Fahnrich, J. (2003). “Isolation of terpenes from Norway spruce needles by distillation.” Chemicke Listy 97(2): 119-122.

Rode, J. E.; Dobrowolski, J. C. (2003). “VCD technique in determining intermolecular H-bond geometry: a DFT study.” THEOCHEM 637: 81-89.

Rode, J. E.; Dobrowolski, J. C. (2003). “Density functional IR, Raman, and VCD spectra of halogen substituted ? -lactams.” J Mol Struct: 651-653, 705-717.

Rode, J. E.; Dobrowolski, J. C. (2003). “Chiral allenes: theoretical VCD and IR spectra.” THEOCHEM 635: 151-159.

Schweitzer-stenner, R.; Eker, F.; Perez, A.; Griebenow, K.; Cao, X.; Nafie, L. A. (2003). “The structure of tri-proline in water probed by polarized Raman, Fourier transform infrared, vibrational circular dichroism, and electric ultraviolet circular dichroism spectroscopy.” Biopolymers 71(5): 558-568.

Solladie-Cavallo, A.; Marsol, C.; Yaakoub, M.; Azyat, K.; Klein, A.; Roje, M.; Suteu, C.; Freedman, T. B.; Cao, X.; Nafie, L. A. (2003). “Erythro-1-naphthyl-1-(2-piperidyl)methanol: Synthesis, Resolution, NMR Relative Configuration, and VCD Absolute Configuration.” J Org Chem 68(19): 7308-7315.

Tomasi, J.; Mennucci, B.; Laug, P. (2003). “The modeling and simulation of the liquid phase.” Handbook of Numerical Analysis 10: 271-375.

Tsankov, D.; Kalisch, B.; Van De Sande, H.; Wieser, H. (2003). “Cisplatin-DNA Adducts by Vibrational Circular Dichroism Spectroscopy: Structure and Isomerization of d(CCTGGTCC)? d(GGACCAGG) Intrastrand Cross-Linked by Cisplatin.” J Phys Chem B 107(26): 6479-6485.

Tsankov, D.; Kalisch, B.; Van De Sande, J. H.; Wieser, H. (2003). “Cisplatin adducts of d(CCTCTG*G*TCTCC)? d(GGAGACCAGAGG) in aqueous solution by vibrational circular dichroism spectroscopy.” Biopolymers 72(6): 490-499.

Wang, F. (2003). “Absolute configuration and conformation analysis of chiral molecules using vibrational circular dichroism.” Vanderbilt Univ., Nashville, TN, USA. Avail. UMI, Order No. DA3058728 (2002): 173. From: Diss Abstr Int, B 63(7): 3313.

Wang, F.; Polavarapu, P. L. (2003). “Conformational analysis of melittin in solution phase: Vibrational circular dichroism study.” Biopolymers 70(4): 614-619.

Abdali, S.; Jalkanen, K. J.; Cao, X.; Nafie, L. A.; Bohr, H. (2004). “Conformational determination of [Leu]enkephalin based on theoretical and experimental VA and VCD spectral analyses.” Phys Chem Chem Phys 6(9): 2434-2439.

Andrushchenko, V.; Wieser, H.; Bour, P. (2004). “RNA Structural Forms Studied by Vibrational Circular Dichroism: Ab Initio Interpretation of the Spectra.” J Phys Chem B 108(12): 3899-3911.

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Blanch, E. W.; Gill, A. C.; Rhie, A. G. O.; Hope, J.; Hecht, L.; Nielsen, K.; Barron, L. D. (2004). “Raman Optical Activity Demonstrates Poly(L-proline) II Helix in the N-terminal Region of the Ovine Prion Protein: Implications for Function and Misfunction.” J Mol Biol 343(2): 467-476.

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Bodack, L. A.; Freedman, T. B.; Chowdhry, B. Z.; Nafie, L. A. (2004). “Solution conformations of cyclosporins and magnesium-cyclosporin complexes determined by vibrational circular dichroism.” Biopolymers 73(2): 163-177.

Bour, P.; Keiderling, T. A. (2004). “Structure, spectra and the effects of twisting of ? -sheet peptides. A density functional theory study.” THEOCHEM 675(1-3): 95-105.

Buergi, T.; Urakawa, A.; Behzadi, B.; Ernst, K. H.; Baiker, A. (2004). “The absolute configuration of heptahelicene: a VCD spectroscopy study.” New J Chem 28(3): 332-334.

Buffeteau, T.; Ducasse, L.; Brizard, A.; Huc, I.; Oda, R. (2004). “Density Functional Theory Calculations of Vibrational Absorption and Circular Dichroism Spectra of Dimethyl-L-tartrate.” J Phys Chem A 108(18): 4080-4086.

Cao, X.; Shah, R. D.; Dukor, R. K.; Guo, C.; Freedman, T. B.; Nafie, L. A. (2004). “Extension of Fourier transform vibrational circular dichroism into the near-infrared region: Continuous spectral coverage from 800 to 10000 cm-1.” Appl Spectrosc 58(9): 1057-1064.

Choi, Jun-Ho; Cho, Minhaeng. (2004). “Amide I vibrational circular dichroism of dipeptide: Conformation dependence and fragment analysis.” J Chem Phys 120(9), 4383-4392.

Eker, F.; Griebenow, K. Cao, X.; Nafie, L. A; Schweitzer-Stenner, R. (2004). “Tripeptides with ionizable side chains adopt a perturbed polyproline II structure in water.” Biochemistry 43(3): 613-21.

Freedman, T. B.; Cao, X.; Nafie, L. A.; Solladie-Cavallo, A.; Jierry, L.; Bouerat, L. (2004). “VCD configuration of enantiopure/-enriched tetrasubstituted ? -fluoro cyclohexanones and their use for epoxidation of trans-olefins.” Chirality 16(7): 467-474.

Guo, C.; Shah, R. D.; Dukor, R. K.; Cao, X.; Freedman, T. B.; Nafie, L. A. (2004). “Determination of enantiomeric excess in samples of chiral molecules using Fourier transform vibrational circular dichroism spectroscopy: Simulation of real-time reaction monitoring.” Anal Chem 76(23): 6956-6966.

Hahn, S.; Lee, H.; Cho, M. (2004). “Theoretical calculations of infrared absorption, vibrational circular dichroism, and two-dimensional vibrational spectra of acetylproline in liquids water and chloroform.” J Chem Phys 121(4): 1849-1865.

He, J.; Petrovic, A. G.; Polavarapu, P. L. (2004). “Determining the Conformer Populations of (R)-(+)-3-Methylcyclopentanone Using Vibrational Absorption, Vibrational Circular Dichroism, and Specific Rotation.” J Phys Chem B 108(52): 20451-20457.

He, J.; Petrovich, A.; Polavarapu, P. L. (2004). “Quantitative Determination of Conformer Populations: Assessment of Specific Rotation, Vibrational Absorption, and Vibrational Circular Dichroism in Substituted Butynes.” J Phys Chem A 108(10): 1671-1680.

Huang, R.; Kubelka, J.; Barber-Armstrong, W.; Silva, R. A. G. D.; Decatur, S. M.; Keiderling, T. A. (2004). “Nature of Vibrational Coupling in Helical Peptides: An Isotopic Labeling Study.” J Am Chem Soc 126(8): 2346-2354.

Izumi, H.; Yamagami, S.; Futamura, S.; Nafie, L. A.; Dukor, R. K. (2004). “Direct Observation of Odd-Even Effect for Chiral Alkyl Alcohols in Solution Using Vibrational Circular Dichroism Spectroscopy.” J Am Chem Soc 126(1): 194-198.

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Kobayashi, N.; Fukuda, T. (2004). “First observation of the vibrational circular dichroism spectra of synthetic chiral porphyrazines.” Chem Lett 33(1): 32-33.

Kuppens, T.; Bultinck, P.; Langenaeker, W. (2004). “Determination of absolute configuration via vibrational circular dichroism.” Drug Discovery Today: Technologies 1(3): 269-275.

Longhi, G.; Gangemi, R.; Lebon, F.; Castiglioni, E.; Abbate, S.; Pultz, V. M.; Lightner, D. A. (2004). “A Comparative Study of Overtone CH-Stretching Vibrational Circular Dichroism Spectra of Fenchone and Camphor.” J Phys Chem A 108(25): 5338-5352.

McColl, I. H.; Blanch, E. W.; Hecht, L.; Barron, L. D. (2004). “A Study of ? -Helix Hydration in Polypeptides, Proteins, and Viruses Using Vibrational Raman Optical Activity.” J Am Chem Soc 126(26): 8181-8188.

McColl, I. H.; Blanch, E. W.; Hecht, L.; Kallenbach, N. R.; Barron, L. D. (2004). “Vibrational Raman Optical Activity Characterization of Poly(L-proline) II Helix in Alanine Oligopeptides.” J Am Chem Soc 126(16): 5076-5077.

Monde, K.; Taniguchi, T.; Miura, N.; Nishimura, S. I. (2004). “Specific band observed in VCD predicts the anomeric configuration of carbohydrates.” J Am Chem Soc 126(31): 9496-9497.

Mori, T.; Izumi, H.; Inoue, Y. (2004). “Chiroptical Properties of Organic Radical Cations. The Electronic and Vibrational Circular Dichroism Spectra of ? -Tocopherol Derivatives and Sterically Hindered Chiral Hydroquinone Ethers.” J Phys Chem A 108(44): 9540-9549.

Mori, T.; Weiss, R. G.; Inoue, Y. (2004). “Mediation of Conformationally Controlled Photodecarboxylations of Chiral and Cyclic Aryl Esters by Substrate Structure, Temperature, Pressure, and Medium Constraints.” J Am Chem Soc 126(29): 8961-8975.

Nafie, L. A.; Buijs, H.; Rilling, A.; Cao, X.; Dukor, R. K. (2004). “Dual source Fourier transform polarization modulation spectroscopy: An improved method for the measurement of circular and linear dichroism.” Appl Spectrosc 58(6): 647-654.

Nafie, L. A. (2004). “Theory of Vibrational Circular Dichroism and Infrared Absorption: Extension to Molecules with Low-Lying Excited Electronic States.” J Phys Chem A 108(35): 7222-7231.

Petrovic, A. G.; Bose, P. K.; Polavarapu, P. L. (2004). “Vibrational circular dichroism of carbohydrate films formed from aqueous solutions.” Carbohyd Res 339(16): 2713-2720.

Polavarapu, P. L.; He, J. (2004). “Chiral analysis using mid-IR vibrational CD spectroscopy.” Analy Chem 76(3): 61A-67A.

Polyanichko, A. M.; Andrushchenko, V. V.; Chikhirzhina, E. V.; Vorob’ev, V. I.; Wieser, H. (2004). “The effect of manganese(II) on DNA structure: electronic and vibrational circular dichroism studies.” Nucleic Acids Research 32(3): 989-996.

Roussel, C.; Del Rio, A.; Pierrot-Sanders, J.; Piras, P.; Vanthuyne, N. (2004). “Chiral liquid chromatography contribution to the determination of the absolute configuration of enantiomers.” J Chroma A 1037(1-2): 311-28.

Schweitzer-Stenner, R. (2004). “Secondary Structure Analysis of Polypeptides Based on an Excitonic Coupling Model to Describe the Band Profile of Amide I’ of IR, Raman, and Vibrational Circular Dichroism Spectra.” J Phys Chem B 108(43): 16965-16975.

Schweitzer-Stenner, R.; Eker, F.; Griebenow, K.; Cao, X.; Nafie, L. A. (2004). “The conformation of tetraalanine in water determined by polarized Raman, FT-IR, and VCD spectroscopy.” J Am Chem Soc 126(9): 2768-76.

Schweitzer-Stenner, R. (2004). “Secondary structure analysis of polypeptides by a model utilizing excitonic coupling between amide I modes.” PMSE Preprints 91: 904-905.

Shanmugam, G.; Polavarapu, P. L. (2004). “Structure of A beta(25-35) peptide in different environments.” Biophys J 87(1): 622-30.

Shanmugam, G.; Polavarapu, P. L. (2004). “Vibrational circular dichroism spectra of protein films: thermal denaturation of bovine serum albumin.” Biophys Chem 111(1): 73-77.

Shanmugam, G.; Polavarapu, P. L. (2004). “Vibrational Circular Dichroism of Protein Films.” J Am Chem Soc 126(33): 10292-10295.

Stephens, P. J. (2004). “Vibrational circular dichroism spectroscopy: A new tool for the stereochemical characterization of chiral molecules.” Computational Medicinal Chemistry for Drug Discovery: 699-725.

Synytsya, A.; Urbanova, M.; Setnicka, V.; Tkadlecova, M.; Havlicek, J.; Raich, I.; Matejka, P.; Synytsya, A.; Copikova, J.; Volka, K. (2004). “The complexation of metal cations by D-galacturonic acid: a spectroscopic study.” Carbohyd Res 339(14): 2391-2405.

Taniguchi, T; Miura, N.; Nishimura, S. I.; Monde, K. (2004). “Vibrational circular dichroism: chiroptical analysis of biomolecules.” Molecular Nutrition & Food Research 48(4): 246-254.

Taniguchi, T.; Monde, K.; Miura, N.; Nishimura, S. I. (2004). “A characteristic CH band in VCD of methyl glycosidic carbohydrates.” Tetrahedron Letters 45(46): 8451-8453.

Tomankova, Z.; Setnicka, V.; Urbanova, M.; Matejka, P.; Kral, V.; Volka, K.; Bour, P. (2004). “Conformational Flexibility of Corey Lactone Derivatives Indicated by Absorption and Vibrational Circular Dichroism Spectra.” J Org Chem 69(1): 26-32.

Toniolo, C.; Formaggio, F.; Tognon, S.; Broxterman, Q. B.; Kaptein, B.; Huang, R.; Setnicka, V.; Keiderling, T. A.; McColl, I. H.; Hecht, L.; Barron, L. D. (2004). “The complete chirospectroscopic signature of the peptide 310-helix in aqueous solution.” Biopolymers 75(1): 32-45.

Tuan, H. P.; Larsson, C.; Hoffmann, F.; Bergman, A.; Froeba, M.; Huehnerfuss, H. (2004). “Enantioselective semi-preparative HPLC separation of PCB metabolites and their absolute structures determined by electronic and vibrational circular dichroism.” Organohalogen Compounds 66(Dioxin 2004): 388-393.

Wang, F.; Zhao, C.; Polavarapu, P. L. (2004). “A study of the conformations of valinomycin in solution phase.” Biopolymers 75(1): 85-93.

Wang, F.; Polavarapu, P. L.; Drabowicz, J.; Kie-lbasinski, P.; Potrzebowski, M. J.; Miko-lajczyk, M.; Wieczorek, M. W.; Majzner, W. W.; Lazewska, I. (2004). “Solution and Crystal Structures of Chiral Molecules Can Be Significantly Different: tert-Butylphenylphosphinoselenoic Acid.” J Phys Chem A 108(11): 2072-2079.

Xu, Q.; Keiderling, T. A. (2004). “Optical spectroscopic differentiation of various equilibrium denatured states of horse cytochrome c.” Biopolymers 73(6): 716-26.

You, J.-L.; Jiang, G.-C.; Hou, H.-Y.; Chen, H.; Wu, Y.-Q.; Xu, K.-D. (2004). “An ab-initio calculation of Raman spectra of binary sodium silicates.” Chinese Physics Letters 21(4): 640-643.

Zheng, R. H.; Chen, D. M.; Wei, W. M.; He, T. J.; Liu, F. C. (2004). “Circular dichroism effect for linear molecules induced by a resonant circularly polarized pumping optical field.” J Chem Phys 121(14): 6835-44.

Zuber, G.; Hug, W. (2004). “Computational interpretation of vibrational optical activity: The ROA spectra of (4S)-4-methylisochromane and the (4S)-isomers of Galaxolide.” Helvetica Chimica Acta 87(9): 2208-2234.

Zuber, G.; Hug, W. (2004). “Rarefied Basis Sets for the Calculation of Optical Tensors. 1. The Importance of Gradients on Hydrogen Atoms for the Raman Scattering Tensor.” J Phys Chem A 108(11): 2108-2118.

Ahmadi, I.; Rahemi, H.; Tayyari, S. F. (2005). “Structural, potential surface and vibrational spectroscopy studies of hypophosphorous acid in the gas phase and chain conformation. A theoretical study.” J Kor Chem Soc 49(2): 129-137.

Ahn, S. J.; Kim, J. J.; Kim, J. H.; Choo, W. K. (2005). Temperature-dependent random field in relaxor ferroelectrics.” J Kor Phys Soc 46(1): 350-353.

Bas, D.; Buergi, T.; Lacour, J.; Vachon, J.; Weber, J. (2005). “Vibrational and electronic circular dichroism of ? -TRISPHAT [tris(tetrachlorobenzenediolato)phosphate(V)] anion.” Chirality 17(Suppl.): S143-S148.

Blagoi, Y.; Gladchenko, G.; Nafie, L. A.; Freedman, T. B.; Sorokin, V.; Valeev, V.; He, Y. (2005). “Phase equilibrium in poly(rA) ? poly(rU) complexes with Cd2+ and Mg2+ ions, studied by ultraviolet, infrared, and vibrational circular dichroism spectroscopy.” Biopolymers 78(5): 275-286.

Bour, P.; Keiderling, T. A. (2005). “Vibrational Spectral Simulation for Peptides of Mixed Secondary Structure: Method Comparisons with the Trpzip Model Hairpin.” J Phys Chem B 109(49): 23687-23697.

Bour, P.; Michalik, D.; Kapitan, J. (2005). “Empirical solvent correction for multiple amide group vibrational modes.” J Chem Phys 122(14): 144501/1-144501/9.

Buffeteau, T.; Lagugne-Labarthet, F.; Sourisseau, C. (2005). “Vibrational circular dichroism in general anisotropic thin solid films: Measurement and theoretical approach.” Appl Spectros 59(6) : 732-745.

Cappelli, C.; Monti, S.; Rizzo, A. (2005). “Effect of the environment on vibrational infrared and circular dichroism spectra of (S)-proline.” Int J Quant Chem 104(5): 744-757.

Cere, V.; Peri, F.; Pollicino, S.; Ricci, A.; Devlin, F. J.; Stephens, P. J.; Gasparrini, F.; Rompietti, R.; Villani, C. (2005). “Synthesis, Chromatographic Separation, Vibrational Circular Dichroism Spectroscopy, and ab Initio DFT Studies of Chiral Thiepane Tetraol Derivatives.” J Org Chem 70(2): 664-669.

Cheon, S.; Cho, M. (2005). “Circularly polarized infrared and visible sum-frequency-generation spectroscopy: vibrational optical activity measurement.” Physical Review A: Atomic, Molecular, and Optical Physics 71(1): 013808/1-013808/8.

Choi, J. H.; Hahn, S.; Cho, M. (2005). “Amide I IR, VCD, and 2 D IR spectra of isotope-labeled ? -helix in liquid water: Numerical simulation studies.” Int J Quant Chem 104(5): 616-634.

Choi, J. H.; Kim, J. S.; Cho, M. (2005). “Amide I vibrational circular dichroism of polypeptides: Generalized fragmentation approximation method.” J Chem Phys 122(17): 174903/1-174903/11.

Cichewicz, R. H.; Clifford, L. J.; Lassen, P. R.; Cao, X.; Freedman, T. B.; Nafie, L. A.; Deschamps, J. D.; Kenyon, V. A.; Flanary, J. R.; Holman, T. R.; Crews, P. (2005). “Stereochemical determination and bioactivity assessment of (S)-(+)-curcuphenol dimers isolated from the marine sponge Didiscus aceratus and synthesized through laccase biocatalysis.” Bioorg & Med Chem 13(19): 5600-12.

Dantan, A.; Bramati, A.; Pinard, M. (2005). “Atomic quantum memory: Cavity versus single-pass schemes.” Physical Review A: Atomic, Molecular, and Optical Physics 71(4): 043801/1-043801/7.

Devlin, F. J.; Stephens, P. J.; Bortolini, O. (2005). “Determination of absolute configuration using vibrational circular dichroism spectroscopy: phenyl glycidic acid derivatives obtained via asymmetric epoxidation using oxone and a keto bile acid.” Tetrahedron: Asymmetry 16(15): 2653-2663.

Devlin, F. J.; Stephens, P. J.; Besse, P. (2005). “Are the absolute configurations of 2-(1-hydroxyethyl)-chromen-4-one and its 6-bromo derivative determined by X-ray crystallography correct? A vibrational circular dichroism study of their acetate derivatives.” Tetrahedron: Asymmetry 16(8): 1557-1566.

Devlin, F. J.; Stephens, P. J.; Besse, P. (2005). “Conformational Rigidification via Derivatization Facilitates the Determination of Absolute Configuration Using Chiroptical Spectroscopy: A Case Study of the Chiral Alcohol endo-Borneol.” J Org Chem 70(8): 2980-2993.

Dunmire, D.; Freedman, T. B.; Nafie, L. A.; Aeschlimann, C.; Gerber, J. G.; Gal, J. (2005). ” Determination of the absolute configuration and solution conformation of the antifungal agents ketoconazole, itraconazole, and miconazole with vibrational circular dichroism.” Chirality 17(Suppl.): S101-S108.

Freedman, T. B.; Cao, X.; Nafie, L. A.; Kalbermatter, M.; Linden, A.; Rippert, A. J. (2005). “Determination of the atropisomeric stability and solution conformation of asymmetrically substituted biphenyls by means of vibrational circular dichroism (VCD).” Helvetica Chimica Acta 88(8): 2302-2314.

Furo, T.; Mori, T.; Wada, T.; Inoue, Y. (2005). “Absolute configuration of chiral [2.2]paracyclophanes with intramolecular charge-transfer interaction. Failure of the exciton chirality method and use of the sector rule applied to the cotton effect of the C-T transition.” J Am Chem Soc 127(46): 16338.

Furo, T.; Mori, T.; Wada, T.; Inoue, Y. (2005). “Absolute Configuration of Chiral [2.2]Paracyclophanes with Intramolecular Charge-Transfer Interaction. Failure of the Exciton Chirality Method and Use of the Sector Rule Applied to the Cotton Effect of the CT Transition.” J Am Chem Soc 127(23): 8242-8243.

Gangemi, R.; Longhi, G.; Abbate, S. (2005). “Calculated absorption and vibrational circular dichroism spectra of fundamental and overtone transitions for a chiral HCCH molecular fragment in the hypothesis of coupled dipoles.” Chirality 17(9): 530-539.

Gangemi, R.; Longhi, G.; Lebon, F.; Abbate, S.; Laux, L. (2005). “Vibrational Excitons in CH-Stretching Fundamental and Overtone Vibrational Circular Dichroism Spectra.” Monatshefte fuer Chemie 136(3): 325-345.

Gautier, C.; Burgi, T. (2005). “Vibrational circular dichroism of N-acetyl-L-cysteine protected gold nanoparticles.” Chem Comm (43): 5393-5395.

Guo, C. (2005). “Enantiomeric excess determination and reaction monitoring of chiral molecules using near-infrared and mid-infrared vibrational circular dichroism.” Syracuse Univ., Syracuse, NY, USA. Avail. UMI, Order No. DA3149049 (2004): 185. From: Diss Abstr Int, B 65(9): 4546.

Guo, C.; Shah, R. D.; Dukor, R. K.; Cao, X.; Freedman, T. B.; Nafie, L. A. (2005). “Enantiomeric excess determination by Fourier transform near-infrared vibrational circular dichroism spectroscopy: Simulation of real-time process monitoring.” Appl Spectrosc 59(9): 1114-1124.

He, J.; Wang, F.; Polavarapu, P. L. (2005). “Absolute configurations of chiral herbicides determined from vibrational circular dichroism.” Chirality 17(Suppl.): S1-S8.

He, J.; Polavarapu, P. L. (2005). “Determination of the absolute configuration of chiral ? -aryloxypropanoic acids using vibrational circular dichroism studies: 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid.” Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy 61A(7): 1327-1334.

He, J.; Polavarapu, P. L. (2005). “Determination of Intermolecular Hydrogen Bonded Conformers of ? -Aryloxypropanoic Acids Using Density Functional Theory Predictions of Vibrational Absorption and Vibrational Circular Dichroism Spectra.” J Chem Theor & Comput 1(3): 506-514.

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Hug, W.; Haesler, J. (2005). “Is the vibrational optical activity of (R)-[2H1,2H2,2H3]-neopentane measurable?” Int J Quant Chem 104(5): 695-715.

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Kapitan, J.; Baumruk, V.; Gut, V.; Hlavacek, J.; Dlouha, H.; Urbanova, M.; Wuensch, E.; Malon, P. (2005). “Raman optical activity of the central part of hinge peptide.” Collection of Czechoslovak Chemical Communications 70(4): 403-409.

Keiderling, T. A.; Xu, Q. (2005). “Optical spectra of unfolded proteins: a partially ordered polymer problem.” Macromolecular Symposia 220: 17-31.

Krasteva, M. L.; Tsankov, D.; van de Sande, J. H.; Wieser, H. (2005). “Synthetic DNA and RNA octamers as single strands, double strands and hybrids studied by vibrational circular dichroism and infrared absorption spectroscopy.” Bulgarian Chem Comm 37(4): 243-255.

Kubelka, J.; Huang, R.; Keiderling, T. A. (2005). “Solvent Effects on IR and VCD Spectra of Helical Peptides: DFT-Based Static Spectral Simulations with Explicit Water.” J Phys Chem B 109(16): 8231-8243.

Kuppens, T.; Vandyck, K.; Van der Eycken, J.; Herrebout, W.; van der Veken, B. J.; Bultinck, P. (2005). “Determination of the Absolute Configuration of Three as-Hydrindacene Compounds by Vibrational Circular Dichroism.” J Org Chem 70(23): 9103-9114.

Lassen, P. R.; Skytte, D. M.; Hemmingsen, L.; Nielsen, S. F.; Freedman, T. B.; Nafie, L. A.; Christensen, S. B. (2005). “Structure and Absolute Configuration of Nyasol and Hinokiresinol via Synthesis and Vibrational Circular Dichroism Spectroscopy.” J Nat Prod 68(11), 1603-1609.

Liegeois, V.; Quinet, O.; Champagne, B. (2005). “Vibrational Raman optical activity as a mean for revealing the helicity of oligosilanes: A quantum chemical investigation.” J Chem Phys 122(21): 214304/1-214304/8.

Mahalakshmi, R.; Shanmugam, G.; Polavarapu, P. L.; Balaram, P. (2005). “Circular dichroism of designed peptide helices and ? -hairpins: Analysis of Trp- and Tyr-rich peptides.” ChemBioChem 6(12): 2152-2158.

Monde, K.; Taniguchi, T.; Miura, N.; Nishimura, S. I. (2005). “Specific band observed in VCD predicts the anomeric configuration of carbohydrates.” J Amer Chem Soc 127(16): 6133.

Mugishima, T.; Tsuda, M.; Kasai, Y.; Ishiyama, H.; Fukushi, E.; Kawabata, J.; Watanabe, M.; Akao, K.; Kobayashi, J. (2005). “Absolute stereochemistry of citrinadins a and B from marine-derived fungus.” J Org Chem 70(23): 9430-5.

Nafie, L. A.; Guo, C.; Dukor, R. K. (2005). “Reaction monitoring of chiral molecules using Fourier-transform infrared vibrational circular dichroism spectroscopy.” PCT Int Appl: 30.

Palivec, L.; Urbanova, M.; Volka, K. (2005). “Circular dichroism spectroscopic study of non-covalent interactions of poly-L-glutamic acid with a porphyrin derivative in aqueous solutions.” Journal of Peptide Science 11(9): 536-545.

Pandyra, A. A.; Yamniuk, A. P.; Andrushchenko, V. V.; Wieser, H.; Vogel, H. J. (2005). “Isotope-labeled vibrational circular dichroism studies of calmodulin and its interactions with ligands.” Biopolymers 79(5): 231-237.

Pecul, M.; Ruud, K. (2005). “Ab initio calculation of vibrational Raman optical activity.” Int J Quant Chem 104(5): 816-829.

Petrovic, A. G.; Polavarapu, P. L. (2005). “Structural Transitions in Polyriboadenylic Acid Induced by the Changes in pH and Temperature: Vibrational Circular Dichroism Study in Solution and Film States.” J Phys Chem B 109(49): 23698-23705.

Petrovic, A. G.; He, J.; Polavarapu, P. L.; Xiao, L. S.; Armstrong, D. W. (2005). “Absolute configuration and predominant conformations of 1,1-dimethyl-2-phenylethyl phenyl sulfoxide.” Organic & Biomolecular Chemistry 3(10): 1977-1981.

Petrovic, A. G.; Polavarapu, P. L.; Drabowicz, J.; Zhang, Y.; McConnell, O. J.; Duddeck, H. (2005). “Absolute configuration of C2-symmetric spiroselenurane: 3,3,3′,3′-tetramethyl-1,1′-spirobi[3 H,2,1]benzoxaselenole.” C–Euro J 11(14): 4257-4262.

Pham-Tuan, H.; Larsson, C.; Hoffmann, F.; Bergman, A.; Froeba, M.; Huehnerfuss, H. (2005). “Enantioselective semipreparative HPLC separation of PCB metabolites and their absolute structure elucidation using electronic and vibrational circular dichroism.” Chirality 17(5): 266-280.

Polyanichko, A. M.; Chikhirzhina, E. V.; Andrushchenko, V. V.; Wieser, H.; Vorob’ev, V. I. (2005). “Spectroscopic investigations of the structure of DNA complexes with Mn2+ in UV and IR regions.” Biofizika 50(5): 810-817.

Polyanichko, A.; Wieser, H. (2005). “Fourier transform infrared/vibrational circular dichroism spectroscopy as an informative tool for the investigation of large supramolecular complexes of biological macromolecules.” Biopolymers 78(6): 329-339.

Reiher, M.; Liegeois, V.; Ruud, K. (2005). “Basis Set and Density Functional Dependence of Vibrational Raman Optical Activity Calculations.” J Phys Chem A 109(33): 7567-7574.

Shanmugam, G.; Polavarapu, P. L.; Gopinath, D.; Jayakumar, R. (2005). “The structure of antimicrobial pexiganan peptide in solution probed by Fourier transform infrared absorption, vibrational circular dichroism, and electronic circular dichroism spectroscopy.” Biopolymers 80(5) 636-642.

Shanmugam, G.; Polavarapu, P. L.; Kendall, A.; Stubbs, G. (2005). “Structures of plant viruses from vibrational circular dichroism.” Journal of General Virology 86(8): 2371-2377.

Shanmugam, G.; Polavarapu, P. L. (2005). “Film techniques for vibrational circular dichroism measurements.” Appl Spectrosc 59(5): 673-681.

Shanmugam, G.; Polavarapu, P. L.; Hallgas, B.; Majer, Z. (2005). “Effect of D-amino acids at Asp23 and Ser26 residues on the conformational preference of Abeta20-29 peptides.” Biochemical and Biophysical Research Communications 335(3): 712-22.

Tian, G.; Zhu, G.; Yang, X.; Fang, Q.; Xue, M.; Sun, J.; Wei, Y.; Qiu, S. (2005). “A chiral layered Co(II) coordination polymer with helical chains from achiral materials.” Chemical Communications (11): 1396-1398.

Urbanova, M.; Setnicka, V.; Devlin, F. J.; Stephens, P. J. (2005). “Determination of Molecular Structure in Solution Using Vibrational Circular Dichroism Spectroscopy: the Supramolecular Tetramer of S-2,2′-Dimethyl-Biphenyl-6,6′-Dicarboxylic Acid.” J Am Chem Soc 127(18): 6700-6711.

Wynne, K. (2005). “A new ultrafast technique for measuring the terahertz dynamics of chiral molecules: the theory of optical heterodyne-detected Raman-induced Kerr optical activity.” J Chem Phys 122(24): 244503/1-244503/8.

You, J.-L.; Jiang, G.-C.; Hou, H.-Y.; Chen, H.; Wu, Y.-Q.; Xu, K.-D. (2005). “Quantum chemistry study on superstructure and Raman spectra of binary sodium silicates.” J Ram Spectros 36(3): 237-249.

Zhu, F.; Isaacs, N. W.; Hecht, L.; Barron, L. D. (2005). “Raman Optical Activity: A Tool for Protein Structure Analysis.” Structure 13(10): 1409-1419.

Zhu, F.; Isaacs, N. W.; Hecht, L.; Barron, L. D. (2005). “Polypeptide and carbohydrate structure of an intact glycoprotein from Raman optical activity.” J Am Chem Soc 127(17): 6142-6143.

Zuber, G.; Goldsmith, M.-R.; Beratan, D. N.; Wipf, P. (2005). “Towards Raman optical activity calculations of large molecules.” Chem Phys Chem 6(4): 595-597.

Ashton, L.; Barron, L. D.; Czarnik-Matusewicz, B.; Hecht, L.; Hyde, J.; Blanch, E. W. (2006). “Two-dimensional correlation analysis of Raman optical activity data on the ? -helix-to-? -sheet transition in poly(L-lysine).” Mol Phys 104(9): 1429-1445.

Barron, L. D. (2006). “Raman optical activity: a new light on proteins, carbohydrates and glycoproteins.” Biochemist 28(3): 27-31.

Brotin, T.; Cavagnat, D.; Dutasta, J. P.; Buffeteau, T. (2006). “Vibrational Circular Dichroism Study of Optically Pure Cryptophane-A.” J Am Chem Soc 128(16) : 5533-5540.

Buffeteau, T.; Ducasse, L.; Poniman, L.; Delsuc, N.; Huc, I. (2006). “Vibrational circular dichroism and ab initio structure elucidation of an aromatic foldamer.” Chem Comm (25) : 2714-2716.

Copps, J.; Murphy, R. F.; Lovas, S. (2006). “Avian pancreatic polypeptide fragments refold to native aPP conformation when combined in solution: A CD and VCD Study.” Biopolymers 83(1): 32-38.

Crawford, T. D. (2006). “Ab initio calculation of molecular chiroptical properties.” Theoretical Chemistry Accounts 115(4): 227-245.

Etchegoin, P. G.; Galloway, C.; Le Ru, E. C. (2006). “Polarization-dependent effects in surface-enhanced Raman scattering (SERS).” Chem Phys 8(22): 2624-2628.

Furo, T.; Mori, T.; Origane, Y.; Wada, T.; Izumi, H.; Inoue, Y. (2006). “Absolute configuration determination of donor-acceptor [2.2]paracyclophanes by comparison of theoretical and experimental vibrational circular dichroism spectra.” Chirality 18(3): 205-211.

Hagarman, A.; Measey, T.; Doddasomayajula, R. S.; Dragomir, I.; Eker, F.; Griebenow, K.; Schweitzer-Stenner, R. (2006). “Conformational Analysis of XA and AX Dipeptides in Water by Electronic Circular Dichroism and 1H NMR Spectroscopy.” J Phys Chem B 110(13): 6979-6986.

Hahn, U.; Kaufmann, A.; Nieger, M.; Julinek, O.; Urbanova, M.; Voegtle, F. (2006). “Preparation and chiroptical studies of dendritic alkaloid derivatives.” Euro J Org Chem (5): 1237-1244.

Jalkanen, K. J.; Jurgensen, V. W.; Claussen, A.; Rahim, A.; Jensen, G. M.; Wade, R. C.; Nardi, F.; Jung, C.; Degtyarenko, I. M.; Nieminen, R. M.; Herrmann, F.; Knapp-Mohammady, M.; Niehaus, T. A.; Frimand, K.; Suhai, S. (2006). “Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: a combined theoretical and experimental approach.” Int J Quant Chem 106(5): 1160-1198.

Jurgensen, V. W.; Jalkanen, K. (2006). “The VA, VCD, Raman and ROA spectra of tri-L-serine in aqueous solution.” Physical Biology 3(1): S63-S79.

Kapitan, J.; Baumruk, V.; Kopecky, V., Jr.; Bour, P. (2006). “Conformational Flexibility of L-Alanine Zwitterion Determines Shapes of Raman and Raman Optical Activity Spectral Bands.” J Phys Chem A 110(14): 4689-4696.

Kapitan, J.; Baumruk, V.; Bour, P. (2006). “Demonstration of the ring conformation in polyproline by the Raman optical activity.” J Am Chem Soc 128(7): 2438-2443.

Keiderling, T. A.; Kubelka, J.; Hilario, J. (2006). “Vibrational circular dichroism of biopolymers: summary of methods and applications.” Vibrational Spectroscopy of Biological and Polymeric Materials: 253-324.

Kneipp, H.; Kneipp, J.; Kneipp, K.. (2006). “Surface-Enhanced Raman Optical Activity on Adenine in Silver Colloidal Solution.” Anal Chem 78(4): 1363-1366.

Longhi, G.; Abbate, S.; Gangemi, R.; Giorgio, E.; Rosini, C. (2006). “Fenchone, Camphor, 2-Methylenefenchone and 2-Methylenecamphor: A Vibrational Circular Dichroism Study.” J Phys Chem A 110(15): 4958-4968.

Macleod, N. A.; Butz, P.; Simons, J. P.; Grant, G. H.; Baker, C. M.; Tranter, G. E. (2006). “Structure, electronic circular dichroism and Raman optical activity in the gas phase and in solution: a computational and experimental investigation.” Phys Chem Chem Phys 7(7): 1432-1440.

Macleod, N. A.; Johannessen, C.; Hecht, L.; Barron, L. D.; Simons, J. P. (2006). “From the gas phase to aqueous solution: Vibrational spectroscopy, Raman optical activity and conformational structure of carbohydrates.” Int J Mass Spectrometry 253(3): 193-200.

Miura, N.; Taniguchi, T.; Monde, K.; Nishimura, S. I. (2006). “A theoretical study of ? – and ? -D-glucopyranose conformations by the density functional theory.” Chem Phys Lett 419(4-6): 326-332.

Monde, K.; Taniguchi, T.; Miura, N.; Vairappan, C. S.; Suzuki, M. (2006). “Absolute configurations of endoperoxides determined by vibrational circular dichroism (VCD).” Tetrahedron Letters 47(26): 4389-4392.

Monde, K.; Taniguchi, T.; Miura, N.; Vairappan, C. S.; Suzuki, M. (2006). “Absolute configurations of brominated sesquiterpenes determined by vibrational circular dichroism.” Chirality 18(5): 335-339.

Monde, K.; Miura, N.; Hashimoto, M.; Taniguchi, T.; Inabe, T. (2006). “Conformational Analysis of Chiral Helical Perfluoroalkyl Chains by VCD.” J Am Chem Soc 128(18): 6000-6001.

Pandyra, A.; Tsankov, D.; Andrushchenko, V.; van de Sande, J. H.; Wieser, H. (2006). “Intercalation of daunomycin into d(CG)4 oligomer duplex containing G? T mismatches by vibrational circular dichroism and infrared absorption spectroscopy.” Biopolymers 82(3): 189-198.

Pecul, M.; Lamparska, E.; Cappelli, C.; Frediani, L.; Ruud, K. (2006). “Solvent Effects on Raman Optical Activity Spectra Calculated Using the Polarizable Continuum Model.” J Phys Chem A 110(8): 2807-2815.

Polavarapu, P. L. (2006). “Quantum mechanical predictions of chiroptical vibrational properties.” Int J Quant Chem 106(8): 1809-1814.

Sadlej, J.; Dobrowolski, J. Cz.; Rode, J. E.; Jamroz, M. H. (2006). “DFT study of vibrational circular dichroism spectra of D-lactic acid-water complexes.” Phys Chem Chem Phys 8(1): 101-113.

Sato, H.; Taniguchi, T.; Monde, K.; Nishimura, S. I.; Yamagishi, A. (2006). “Dramatic effects of d-electron configurations on vibrational circular dichroism spectra of Tris(acetylacetonato)metal(III).” Chem Lett 35(4): 364-365.

Schweitzer-Stenner, R.; Measey, T.; Hagarman, A.; Eker, F.; Griebenow, K. (2006). “Salmon calcitonin and amyloid beta: two peptides with amyloidogenic capacity adopt different conformational manifolds in their unfolded states.” Biochemistry 45(9): 2810-9.

Shanmugam, G.; Polavarapu, P. L. (2006). “Structures of intact glycoproteins from vibrational circular dichroism.” Proteins: Structure, Function, and Bioinformatics 63(4): 768-776.

Shin, S.; Nakata, M.; Hamada, Y. (2006). “Analysis of Vibrational Circular Dichroism Spectra of (S)-(+)-2-Butanol by Rotational Strengths Expressed in Local Symmetry Coordinates.” J Phys Chem A 110(6): 2122-2129.

Soulard, P.; Asselin, P.; Cuisset, A.; Aviles Moreno, J. R.; Huet, T. R.; Petitprez, D.; Demaison, J.; Freedman, T. B.; Cao, X.; Nafie, L. A.; Crassous, J. (2006). “Chlorofluoroiodomethane as a potential candidate for parity violation measurements.” Phys Chem Chem Phys 8(1) : 79-92.

Stephens, P. J.; McCann, D. M.; Devlin, F. J.; Flood, T. C.; Butkus, E.; Stoncius, S.; Cheeseman, J. R. (2005). ” Determination of Molecular Structure Using Vibrational Circular Dichroism Spectroscopy: The Keto-lactone Product of Baeyer-Villiger Oxidation of (+)-(1R,5S)-Bicyclo[3.3.1]nonane-2,7-dione.” J Org Chem 70(10): 3903-3913.

Tarczay, G.; Magyarfalvi, G.; Vass, E. (2006). ” Towards the determination of the absolute configuration of complex molecular systems: matrix isolation vibrational circular dichroism study of (R)-2-amino-1-propanol.” Angewandte Chemie, International Edition 45(11): 1775-1777.

Tsankov, D.; Krasteva, M.; Andrushchenko, V.; van de Sande, J. H.; Wieser, H. (2006). “Vibrational circular dichroism signature of hemiprotonated intercalated four-stranded i-DNA.” Biophys Chem 119(1): 1-6.

Vargas, A.; Bonalumi, N.; Ferri, D.; Baiker, A. (2006). “Solvent-Induced Conformational Changes of O-Phenyl-cinchonidine: A Theoretical and VCD Spectroscopy Study.” J Phys Chem A 110(3): 1118-1127.

Zhang, P.; Polavarapu, P. L. (2006). “Vibrational circular dichroism of matrix-assisted amino acid films in the mid-infrared region.” Appl Spectrosc 60(4): 378-385.

Zheng, R. H.; Chen, D. M.; Wei, W. M.; He, T. J.; Liu, F. C. (2006). “Theoretical Investigation of Doubly Resonant IR-UV Sum-Frequency Vibrational Spectroscopy of Binaphthol Chiral Solution.” J Phys Chem B 110(9): 4480-4486.

Zhu, F.; Isaacs, N. W.; Hecht, L.; Tranter, G. E.; Barron, L. D. (2006). “Raman optical activity of proteins, carbohydrates and glycoproteins.” Chirality 8(2): 103-115.