Advances in Biomedical Spectroscopy

0333738 - ÚOCHB 2010 RIV NL eng M - Monography Chapter
Kubelka, J. - Bouř, Petr - Keiderling, T. A.
Quantum Mechanical Calculations of Peptide Vibrational Force Fields and Spectral Intensities.
Advances in Biomedical Spectroscopy. Vol. 2. Amsterdam: IOS Press, 2009 - (Barth, A.; Haris, P.), s. 178-223. ISBN 978-1-60750-045-2
Institutional research plan: CEZ:AV0Z40550506
Keywords : peptides * quantum mechanics * force field * vibrational spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry

Quantum Mechanical Calculations of Peptide Vibrational Force Fields and Spectral Intensities”, Kubelka, J.; Bouř, P.; Keiderling, T. A., in Advances in Biomedical Spectroscopy, volume 2 Biological and Biomedical Infrared Spectroscopy, Barth, A. and Haris, P.I., editors, IOS Press Amsterdam 2009, pp. 178-223, ISBN: 978-1-60750-045-2. A brief review of some recent trends in computation of molecular force fields and spectral intensities is presented. Particular attention is paid to experiments involving circularly polarized light, as these provide enhanced structural information for chiral molecules.
Permanent Link: http://hdl.handle.net/11104/0178659