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Advances in Biomedical Spectroscopy
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SYSNO ASEP 0333738 Document Type M - Monograph Chapter R&D Document Type Monograph Chapter Title Quantum Mechanical Calculations of Peptide Vibrational Force Fields and Spectral Intensities Author(s) Kubelka, J. (CZ)
Bouř, Petr (UOCHB-X) RID, ORCID
Keiderling, T. A. (US)Number of authors 3 Source Title Advances in Biomedical Spectroscopy, 2 - Biological and Biomedical Infrared Spectroscopy. - Amsterdam : IOS Press, 2009 / Barth A. ; Haris P. I. - ISBN 978-1-60750-045-2 Pages s. 178-223 Number of pages 46 s. Number of copy 1000 Number of pages 448 Language eng - English Country NL - Netherlands Keywords peptides ; quantum mechanics ; force field ; vibrational spectroscopy Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40550506 - UOCHB-X (2005-2011) Annotation 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. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2010
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