Search results
- 1.0521562 - ÚOCHB 2020 IT eng A - Abstract
Krupová, Monika - Andrushchenko, Valery - Chalupský, Jakub - Bouř, Petr
Magnetic circular dichroism of lanthanide M3+ ions. Experimental and theoretical study.
CD 2019. 17th International Conference on Chiroptical Spectroscopy. Pisa: ICCOM, 2019. s. 133.
[CD 2019. International Conference on Chiroptical Spectroscopy /17./. 23.06.2019-27.06.2019, Pisa]
Institutional support: RVO:61388963
Keywords : lanthanides * magnetic circular dichroism * crystal field theory * CASPT2
OECD category: Physical chemistry
Permanent Link: http://hdl.handle.net/11104/0306158 - 2.0425288 - ÚOCHB 2014 JP eng A - Abstract
Kývala, Mojmír - Chalupský, Jakub - Havlas, Zdeněk - Michl, Josef
Search for a molecule with a measurable electronic energy shift due to parity violation.
5th JCS International Symposium on Theoretical Chemistry. Kyoto: -, 2013. Ok3.
[JCS International Symposium on Theoretical Chemistry /5./. 02.12.2013-06.12.2013, Nara]
Institutional support: RVO:61388963
Keywords : parity violation * electronic energy shift
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0231212 - 3.0425278 - ÚOCHB 2014 JP eng A - Abstract
Chalupský, Jakub - Srnec, Martin - Rokob, T. A. - Kurashige, Y. - Yanai, T. - Solomon, E. I. - Rulíšek, Lubomír
DMRG-CASPT2 and DFT studies on reactive intermediates in non-heme diiron enzymes.
5th JCS International Symposium on Theoretical Chemistry. Kyoto: -, 2013. Oc3.
[JCS International Symposium on Theoretical Chemistry /5./. 02.12.2013-06.12.2013, Nara]
Institutional support: RVO:61388963
Keywords : DMRG-CAST2 * DFT * non-heme diiron enzymes
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0231209