(Q45033675)

English

Simple minimum principle to derive a quantum-mechanical/molecular-mechanical method

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scholarly article

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Europe PubMed Central

PubMed publication ID

8 December 2017

Simple minimum principle to derive a quantum-mechanical/molecular-mechanical method (English)

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Europe PubMed Central

PubMed publication ID

8 December 2017

author name string

Koji Yasuda

1

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Europe PubMed Central

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8 December 2017

Daisuke Yamaki

2

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Europe PubMed Central

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8 December 2017

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publication date

1 September 2004

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Europe PubMed Central

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8 December 2017

Journal of Chemical Physics

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8 December 2017

121

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Europe PubMed Central

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8 December 2017

9

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Europe PubMed Central

PubMed publication ID

8 December 2017

3964-3972

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Europe PubMed Central

PubMed publication ID

8 December 2017

Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method.

1 reference

https://api.crossref.org/works/10.1063%2F1.1772354

21 January 2018

On the Mechanism of ATP Hydrolysis in F1-ATPase

1 reference

https://api.crossref.org/works/10.1063%2F1.1772354

21 January 2018

Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

1 reference

https://api.crossref.org/works/10.1063%2F1.1772354

21 January 2018

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

1 reference

https://api.crossref.org/works/10.1063%2F1.1772354

21 January 2018

Intermolecular exchange-induction and charge transfer: Derivation of approximate formulas using nonorthogonal localized molecular orbitals

1 reference

https://api.crossref.org/works/10.1063%2F1.1772354

21 January 2018

Identifiers

10.1063/1.1772354

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

8 December 2017

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