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0379723 - ÚOCHB 2013 RIV US eng J - Journal Article
Řezáč, Jan - Levy, B. - Demachy, I. - de la Lande, A.
Robust and Efficient Constrained DFT Molecular Dynamics Approach for Biochemical Modeling.
Journal of Chemical Theory and Computation. Roč. 8, č. 2 (2012), s. 418-427. ISSN 1549-9618. E-ISSN 1549-9626
Institutional research plan: CEZ:AV0Z40550506
Keywords : constrained density functional theory * electron transfer * density fitting
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.389, year: 2012
Permanent Link: http://hdl.handle.net/11104/0210611