STANDARA, Stanislav, Kateřina MALIŇÁKOVÁ, Radek MAREK, Jaromír MAREK, Michal HOCEK, Michal STRAKA a Juha VAARA. Understanding the NMR Chemical Shifts for 6-halopurines: Role of Structure, Solvent, and Relativistic Effects. In Modeling Interactions in Biomolecules IV. Praha: MATFYZPRESS, Publishing House of the Faculty of Mathematics and Physics, Charles University in Prague, 2009, s. 80-80. |
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@inproceedings{846803, author = {Standara, Stanislav and Maliňáková, Kateřina and Marek, Radek and Marek, Jaromír and Hocek, Michal and Straka, Michal and Vaara, Juha}, address = {Praha}, booktitle = {Modeling Interactions in Biomolecules IV}, keywords = {NMR; chemical shifts; quantum chemical calculations; DFT; BPPT; relativistic effects; solvent effects; Breit-Pauli perturbation theory}, language = {eng}, location = {Praha}, pages = {80-80}, publisher = {MATFYZPRESS, Publishing House of the Faculty of Mathematics and Physics, Charles University in Prague}, title = {Understanding the NMR Chemical Shifts for 6-halopurines: Role of Structure, Solvent, and Relativistic Effects}, year = {2009} }
TY - JOUR ID - 846803 AU - Standara, Stanislav - Maliňáková, Kateřina - Marek, Radek - Marek, Jaromír - Hocek, Michal - Straka, Michal - Vaara, Juha PY - 2009 TI - Understanding the NMR Chemical Shifts for 6-halopurines: Role of Structure, Solvent, and Relativistic Effects PB - MATFYZPRESS, Publishing House of the Faculty of Mathematics and Physics, Charles University in Prague CY - Praha KW - NMR KW - chemical shifts KW - quantum chemical calculations KW - DFT KW - BPPT KW - relativistic effects KW - solvent effects KW - Breit-Pauli perturbation theory N2 - NMR parameters for 6-halopurines were determined both experimentally and theoretically. The effects of structure, solvent, and relativity are discussed. ER -
STANDARA, Stanislav, Kateřina MALIŇÁKOVÁ, Radek MAREK, Jaromír MAREK, Michal HOCEK, Michal STRAKA a Juha VAARA. Understanding the NMR Chemical Shifts for 6-halopurines: Role of Structure, Solvent, and Relativistic Effects. In \textit{Modeling Interactions in Biomolecules IV}. Praha: MATFYZPRESS, Publishing House of the Faculty of Mathematics and Physics, Charles University in Prague, 2009, s.~80-80.
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