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0444056 - ÚOCHB 2016 RIV CH eng J - Journal Article
Salahub, D. R. - Noskov, S. Y. - Lev, B. - Zhang, R. - Ngo, V. - Goursot, A. - Calaminici, P. - Köster, A. M. - Alvarez-Ibarra, A. - Mejía-Rodríguez, D. - Řezáč, Jan - Cailliez, F. - de la Lande, A.
QM/MM Calculations with deMon2k.
Molecules. Roč. 20, č. 3 (2015), s. 4780-4812. E-ISSN 1420-3049
R&D Projects: GA ČR GP13-01214P
Institutional support: RVO:61388963
Keywords : molecular dynamics simulations * polarizable force field * free energy path
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.465, year: 2015
http://www.mdpi.com/1420-3049/20/3/4780/htm
Permanent Link: http://hdl.handle.net/11104/0246724