"Mixed ab initio QM/MM modeling using frozen orbitals and tests with ..."

Dean M. Philipp, Richard A. Friesner (1999)

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DOI: 10.1002/(SICI)1096-987X(19991115)20:14<1468::AID-JCC2>3.0.CO;2-0

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type: Journal Article

metadata version: 2020-04-01

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Dean M. Philipp, Richard A. Friesner:
Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide. J. Comput. Chem. 20(14): 1468-1494 (1999)

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