Search results
- 1.0376587 - ÚOCHB 2013 CZ eng A - Abstract
Lantto, P. - Standara, Stanislav - Riedel, S. - Vaara, J. - Straka, Michal
Exploring new 129Xe chemical shift ranges in exotic HXeY compounds: hydrogen more relativistic than xenon.
27th NMR Valtice. Central European NMR meeting. Biomolecular NMR. Valtice: Masaryk University, 2012 - (Novotný, J.; Marek, R.). C22. ISBN 978-80-86441-43-6.
[NMR Valtice. Central European NMR meeting. Biomolecular NMR /27./. 22.04.2012-25.04.2012, Valtice]
R&D Projects: GA ČR GA203/09/2037
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR * HXeY compounds
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0208948 - 2.0364013 - ÚOCHB 2012 GR eng A - Abstract
Standara, Stanislav - Štěpánek, Petr - Kulhánek, P. - Horníček, Jan - Straka, Michal
Density functional calculations of NMR parameters in endohedral fullerenes and confined Xe systems.
14th International Density Functional Theory Conference. Athens: Demokritos, 2011. s. 98-98.
[International Density Functional Theory Conference /14./. 29.08.2011-02.09.2011, Athens]
R&D Projects: GA ČR GA203/09/2037
Institutional research plan: CEZ:AV0Z40550506
Keywords : NMR parameters * confined Xe systems * DFT * endohedral fullerenes * 129Xe NMR
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0199608 - 3.0363999 - 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 - 4.0347059 - ÚOCHB 2011 CZ eng A - Abstract
Standara, Stanislav - Maliňáková, K. - Marek, R. - Straka, Michal - Vaara, J.
Comprehensive study of the NMR chemical shifts for 6-halopurines.
Central European NMR Meeting. 25th NMR Valtice. Brno: Stuare, s. r. o, 2010 - (Marek, R.). C14-C14. ISBN 978-80-86441-42-9.
[Central European NMR Meeting. NMR Valtice /25./. 25.04.2010-28.04.2010, Valtice]
R&D Projects: GA ČR GA203/09/2037; GA MŠMT(CZ) LC06030
Institutional research plan: CEZ:AV0Z40550506
Keywords : 6-halopurines * NMR * quantum caculation * BPPT
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0187923