"Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) ..."

Peter L. Cummins, Jill E. Gready (1999)

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DOI: 10.1002/(SICI)1096-987X(19990730)20:10<1028::AID-JCC5>3.0.CO;2-7

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type: Journal Article

metadata version: 2020-04-01

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Peter L. Cummins, Jill E. Gready:
Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules. J. Comput. Chem. 20(10): 1028-1038 (1999)

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