Parallel ab initio and molecular mechanics investigation of polycoordinated Zn(II) complexes with model hard and soft ligands: Variations of binding energy and of its components with number and charges of ligands.

Autor: Tiraboschi, Gilles, Gresh, Nohad, Giessner-Prettre, Claude, Pedersen, Lee G., Deerfield, David W.
Zdroj: Journal of Computational Chemistry; Sep2000, Vol. 21 Issue 12, p1011-1039, 29p
Databáze: Complementary Index
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