"Geometry optimization with QM/MM, ONIOM, and other combined methods. I. ..."

Thom Vreven et al. (2003)

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DOI: 10.1002/JCC.10156

access: closed

type: Journal Article

metadata version: 2020-04-01

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Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch:
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. J. Comput. Chem. 24(6): 760-769 (2003)

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