Search results
- 1.0391780 - ÚOCHB 2014 RIV NL eng J - Journal Article
Rulíšek, Lubomír - Ryde, U.
Theoretical studies of the active-site structure, spectroscopic and thermodynamic properties, and reaction mechanism of multicopper oxidases.
Coordination Chemistry Reviews. Roč. 257, č. 2 (2013), s. 445-458. ISSN 0010-8545. E-ISSN 1873-3840
Institutional support: RVO:61388963
Keywords : multi-copper oxidases * QM/MM calculations * multireference calculations * theoretical spectroscopy
Subject RIV: CA - Inorganic Chemistry
Impact factor: 12.098, year: 2013
Permanent Link: http://hdl.handle.net/11104/0220753 - 2.0377373 - ÚOCHB 2013 RIV GB eng J - Journal Article
Rokob, Tibor András - Srnec, Martin - Rulíšek, Lubomír
Theoretical calculations of physico-chemical and spectroscopic properties of bioinorganic systems: current limits and perspectives.
Dalton Transactions. Roč. 41, č. 19 (2012), s. 5754-5768. ISSN 1477-9226. E-ISSN 1477-9234
Institutional research plan: CEZ:AV0Z40550506
Keywords : DFT methods * theoretical spectroscopy * bioinorganic chemistry * physico-chemical properties * QM/MM calculations * wave-function methods
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.806, year: 2012
Permanent Link: http://hdl.handle.net/11104/0209544