0394735 - ÚOCHB 2014 RIV US eng J - Journal Article
Standara, Stanislav - Kulhánek, P. - Marek, R. - Straka, MichalXe-129 NMR chemical shift in Xe@C-60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent.
Journal of Computational Chemistry. Roč. 34, č. 22 (2013), s. 1890-1898. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR GA203/09/2037; GA ČR GA13-03978S
Grant - others:7th European Community Framework Program(XE) FP7-286154; CEITEC-Central European Institute of Technology (European Regional Development)(XE) CZ.1.05/1.1.00/02.0068; Operational Program Research and Development for Innovations(XE) CZ.1.05/3.2.00/08.0144
Institutional support: RVO:61388963
Keywords : Xe-129 NMR * Xe@C-60 * dynamical averaging * explicit solvent * relativistic effects
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.601, year: 2013
Permanent Link: http://hdl.handle.net/11104/0223099