"An optimum strategy for solution chemistry using semiempirical molecular ..."

Yoshiyuki Koyano et al. (2010)

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DOI: 10.1002/JCC.21558

access: closed

type: Journal Article

metadata version: 2021-10-14

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Yoshiyuki Koyano, Norio Takenaka, Yukinori Nakagawa, Masataka Nagaoka:
An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework. J. Comput. Chem. 31(14): 2628-2641 (2010)

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