Ionization of imidazole in the gas phase, microhydrated environments, and in aqueous solution

Number of the records: 1

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SYSNO ASEP	0306811
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Ionization of imidazole in the gas phase, microhydrated environments, and in aqueous solution
Title	Ionizace imidazolu v plynné fázi, při mikrohydrataci a ve vodném roztoku
Author(s)	Jagoda-Cwiklik, Barbara (UOCHB-X) Slavíček, P. (CZ) Cwiklik, Lukasz (UOCHB-X)_{RID, ORCID} Nolting, D. (DE) Winter, B. (DE) Jungwirth, Pavel (UOCHB-X)_{RID, ORCID}
Source Title	Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639 Roč. 112, č. 16 (2008), s. 3499-3505
Number of pages	7 s.
Language	eng - English
Country	US - United States
Keywords	imidazole ; ab initio calculations ; molecular dynamics ; photoelectron spectroscopy
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
	GA203/07/1006 GA ČR - Czech Science Foundation (CSF)
CEZ	AV0Z40550506 - UOCHB-X (2005-2011)
UT WOS	000255104800001
DOI	https://doi.org/10.1021/jp711476g
Annotation	Hydration of neutral and cationic imidazole is studied by means of ab initio and molecular dynamics calculations, and by photoelectron spectroscopy.
Workplace	Institute of Organic Chemistry and Biochemistry
Contact	asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418
Year of Publishing	2008

Number of the records: 1