(Q57976299)

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Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method

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scholarly article

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Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method (English)

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author name string

Dmitri G. Fedorov

1

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Pavel V. Avramov

2

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Jan H. Jensen

3

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Kazuo Kitaura

4

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publication date

July 2009

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Chemical Physics Letters

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477

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1-3

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169-175

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Identifiers

10.1016/J.CPLETT.2009.06.072

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