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An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework
Yoshiyuki Koyano, Norio Takenaka, Yukinori Nakagawa, Masataka NagaokaVolume:
31
Year:
2010
Language:
english
Pages:
14
DOI:
10.1002/jcc.21558
File:
PDF, 562 KB
english, 2010