Number of the records: 1

Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water

SYSNO ASEP	0342841
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water
Author(s)	Kapitán, J. (GB) Dračínský, Martin (UOCHB-X)_{RID, ORCID} Kaminský, Jakub (UOCHB-X)_{RID, ORCID} Benda, Ladislav (UOCHB-X)_RID Bouř, Petr (UOCHB-X)_{RID, ORCID}
Number of authors	5
Source Title	Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106 Roč. 114, č. 10 (2010), s. 3574-3582
Number of pages	9 s.
Language	eng - English
Country	US - United States
Keywords	Raman spectroscopy ; theoretical modelling ; CPMD
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	GA202/07/0732 GA ČR - Czech Science Foundation (CSF)
	IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	IAA400550701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	GPP208/10/P356 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000275328400022
DOI	10.1021/jp9110508
Annotation	Hydration envelopes of metallic ions significantly influence their chemical properties and biological functioning. In this study, we used a combination of Raman spectroscopy and computer modeling to analyze the magnesium hydration shell and origin of the signal.
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	2011

Number of the records: 1