"Intramolecular chelation of Zn2+ by - and -mercaptocarboxamides. A ..."

Gilles Tiraboschi et al. (2001)

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DOI: 10.1002/JCC.1064

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type: Journal Article

metadata version: 2020-04-01

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Gilles Tiraboschi, Marie-Claude Fournié-Zaluski, Bernard-Pierre Roques, Nohad Gresh:
Intramolecular chelation of Zn2+ by - and -mercaptocarboxamides. A parallel ab initio and polarizable molecular mechanics investigation. Assessment of the role of multipole transferability. J. Comput. Chem. 22(10): 1038-1047 (2001)

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