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0376947 - ÚOCHB 2013 RIV US eng J - Journal Article
Rokob, Tibor András - Rulíšek, Lubomír
Curvature Correction for Microiterative Optimizations with QM/MM Electronic Embedding.
Journal of Computational Chemistry. Roč. 33, č. 12 (2012), s. 1197-1206. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA AV ČR(CZ) IAA400040802
Institutional research plan: CEZ:AV0Z40550506
Keywords : potential-energy surface * quasi-newton matrices * enzymatic-reactions * transition-state search * coordinate transformation problem
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.835, year: 2012
Permanent Link: http://hdl.handle.net/11104/0209226