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Simulation of 129Xe NMR chemical shift of Xe@C60 dissolved in liquid benzene
- 1.0363999 - ÚOCHB 2012 GR eng A - Abstract
Standara, Stanislav - Kulhánek, P. - Marek, R. - Horníček, Jan - Bouř, Petr - Straka, Michal
Simulation of 129Xe NMR chemical shift of Xe@C60 dissolved in liquid benzene.
14th International Density Functional Theory Conference. Athens: Demokritos, 2011. s. 96-96.
[International Density Functional Theory Conference /14./. 29.08.2011-02.09.2011, Athens]
R&D Projects: GA ČR GA203/09/2037; GA ČR GAP208/11/0105
Institutional research plan: CEZ:AV0Z40550506
Keywords : 129Xe NMR spectroscopy * 129Xe NMR chemical shift * molecular dynamics * nonrelativistic DFT * Breit-Pauli perturbation corrections
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0199599
Number of the records: 1