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Interpretation of Raman and Raman Optical Activity Spectra of a Flexible Sugar Derivative, the Gluconic Acid Anion

SYSNO ASEP	0326850
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Interpretation of Raman and Raman Optical Activity Spectra of a Flexible Sugar Derivative, the Gluconic Acid Anion
Author(s)	Kaminský, Jakub (UOCHB-X)_{RID, ORCID} Kapitán, Josef (UOCHB-X) Baumruk, V. (CZ) Bednárová, Lucie (UOCHB-X)_{RID, ORCID} Bouř, Petr (UOCHB-X)_{RID, ORCID}
Number of authors	5
Source Title	Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639 Roč. 113, č. 15 (2009), s. 3594-3601
Number of pages	8 s.
Language	eng - English
Country	US - United States
Keywords	Raman optical activity ; sugars ; saccharides ; gluconic acid ; flexibility
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	000265030400024
DOI	10.1021/jp809210n
Annotation	A general computational approach is proposed for the gluconic acid anion taken as a model compound, where quantum simulations of the spectra are directly coupled with molecular dynamics (MD) techniques.
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

Number of the records: 1