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A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to

Takeshi Nagata1, Dmitri G Fedorov, Toshihiko Sawada

  • 1NRI, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. takeshi.nagata@aist.go.jp

The Journal of Chemical Physics
|January 26, 2011
PubMed

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