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Interpretation of Raman and Raman Optical Activity Spectra of a Flexible Sugar Derivative, the Gluconic Acid Anion
- 1.0326850 - ÚOCHB 2010 RIV US eng J - Journal Article
Kaminský, Jakub - Kapitán, Josef - Baumruk, V. - Bednárová, Lucie - Bouř, Petr
Interpretation of Raman and Raman Optical Activity Spectra of a Flexible Sugar Derivative, the Gluconic Acid Anion.
Journal of Physical Chemistry A. Roč. 113, č. 15 (2009), s. 3594-3601. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
Institutional research plan: CEZ:AV0Z40550506
Keywords : Raman optical activity * sugars * saccharides * gluconic acid * flexibility
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
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.
Permanent Link: http://hdl.handle.net/11104/0005310
Number of the records: 1