(Q51583020)

7 April 2018

title

Fully analytic energy gradient in the fragment molecular orbital method. (English)

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7 April 2018

author name string

Takeshi Nagata

1

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7 April 2018

Kurt Brorsen

2

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7 April 2018

Dmitri G Fedorov

3

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7 April 2018

Kazuo Kitaura

4

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7 April 2018

Mark S Gordon

5

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7 April 2018

language of work or name

English

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publication date

1 March 2011

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7 April 2018

Journal of Chemical Physics

published in

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volume

134

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issue

12

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page(s)

124115

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7 April 2018

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

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Identifiers

DOI

10.1063/1.3568010

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7 April 2018

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7 April 2018