0306811 - ÚOCHB 2008 RIV US eng J - Journal Article
Jagoda-Cwiklik, Barbara - Slavíček, P. - Cwiklik, Lukasz - Nolting, D. - Winter, B. - Jungwirth, Pavel
Ionization of imidazole in the gas phase, microhydrated environments, and in aqueous solution.
[Ionizace imidazolu v plynné fázi, při mikrohydrataci a ve vodném roztoku.]
Journal of Physical Chemistry A. Roč. 112, č. 16 (2008), s. 3499-3505. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA ČR GA203/07/1006
Grant - others:GA ČR(CZ) GP203/07/P449
Institutional research plan: CEZ:AV0Z40550506
Keywords : imidazole * ab initio calculations * molecular dynamics * photoelectron spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.871, year: 2008 ; AIS: 0.959, rok: 2008
DOI: https://doi.org/10.1021/jp711476g

Hydration of neutral and cationic imidazole is studied by means of ab initio and molecular dynamics calculations, and by photoelectron spectroscopy.

Hydratace neutrálního a kationtového imidazolu je studována pomocí ab initio a molekulově dynamických výpočtů a fotoelektronovou specktroskopií.
Permanent Link: http://hdl.handle.net/11104/0004584