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Dynamics of Electron Localization in Warn versus Cold Water Clusters

SYSNO ASEP	0345917
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Dynamics of Electron Localization in Warn versus Cold Water Clusters
Author(s)	Maršálek, Ondřej (UOCHB-X)_{RID, ORCID} Uhlig, F. (DE) Frigato, T. (DE) Schmidt, B. (DE) Jungwirth, Pavel (UOCHB-X)_{RID, ORCID}
Number of authors	5
Source Title	Physical Review Letters. - : American Physical Society - ISSN 0031-9007 Roč. 105, č. 4 (2010), 043002/1-043002/4
Number of pages	4 s.
Language	eng - English
Country	US - United States
Keywords	solvated electron ; water cluster ; ab initio molecular dynamics
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	GA203/08/0114 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000280237400003
DOI	10.1103/PhysRevLett.105.043002
Annotation	The process of electron localization on a cluster of 32 water molecules at different temperatures is unraveled using ab initio molecular dynamics simulations.
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