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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

Gilles Tiraboschi, Nohad Gresh, Claude Giessner-Prettre, Lee G. Pedersen, David W. Deerfield. 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. Journal of Computational Chemistry, 21(12):1011-1039, 2000. [doi]

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Gilles Tiraboschi

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Nohad Gresh

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Claude Giessner-Prettre

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Lee G. Pedersen

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David W. Deerfield

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