A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolin (Q33801447)
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English | A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolin |
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A combined effective fragment potential-fragment molecular orbital method. II. Analytic gradient and application to the geometry optimization of solvated tetraglycine and chignolin (English)
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Takeshi Nagata
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Dmitri G Fedorov
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Toshihiko Sawada
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Kazuo Kitaura
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Mark S Gordon
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1 January 2011
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134
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034110
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