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Molecular dynamics with restrictions derived from optical spectra
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SYSNO ASEP 0326798 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Molecular dynamics with restrictions derived from optical spectra Author(s) Kaminský, Jakub (UOCHB-X) RID, ORCID
Šebek, Jiří (UOCHB-X)
Bouř, Petr (UOCHB-X) RID, ORCIDNumber of authors 3 Source Title Journal of Computational Chemistry. - : Wiley - ISSN 0192-8651
Roč. 30, č. 6 (2009), s. 983-981Number of pages 9 s. Language eng - English Country US - United States Keywords Raman optical activity ; optical spectra ; conformation ; molecular dynamics Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/06/0420 GA ČR - Czech Science Foundation (CSF) GA202/07/0732 GA ČR - Czech Science Foundation (CSF) IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000264651200017 DOI 10.1002/jcc.21123 Annotation Spectral analysis is enhanced by restrictions to molecular dynamics propagations based on the Raman and Raman optical activity experimental and calculated spectra. 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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