Joint quantum chemical and polarizable molecular mechanics investigation of formate complexes with penta- and hexahydrated Zn2+: Comparison between energetics of model bidentate, monodentate, and through-water Zn2+ binding modes and evaluation of nonadditivity effects

Autor: Tiraboschi, Gilles, Roques, Bernard-Pierre, Gresh, Nohad
Zdroj: Journal of Computational Chemistry; Oct1999, Vol. 20 Issue 13, p1379-1390, 12p
Databáze: Complementary Index
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