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- 1.0425278 - 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