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ORCID"Geometry optimization with QM/MM, ONIOM, and other combined methods. I. ..."
Thom Vreven et al. (2003)
- 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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