(Q51534639)

English

An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water.

scientific article published in January 2005

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

An application of the novel quantum mechanical/molecular mechanical method combined with the theory of energy representation: An ionic dissociation of a water molecule in the supercritical water. (English)

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

author name string

Hideaki Takahashi

1

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

Wataru Satou

2

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

Takumi Hori

3

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

Tomoshige Nitta

4

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

language of work or name

0 references

publication date

1 January 2005

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

122

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

4

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

44504

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

A quantum chemical approach to the free energy calculations in condensed systems: the QM/MM method combined with the theory of energy representation.

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Autoionization in liquid water

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Protons in supercritical water: a multistate empirical valence bond study

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Inhomogeneous Electron Gas

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Self-Consistent Equations Including Exchange and Correlation Effects

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Higher-order finite-difference pseudopotential method: An application to diatomic molecules

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Die Berechnung optischer und elektrostatischer Gitterpotentiale

1 reference

https://api.crossref.org/works/10.1063%2F1.1839858

21 January 2018

Identifiers

10.1063/1.1839858

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

6 April 2018

http://europepmc.org/abstract/MED/15740264

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