(Q58201009)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16965073%20AND%20SRC:MED&resulttype=core&format=json

30 December 2019

title

A generalization of the charge equilibration method for nonmetallic materials (English)

1 reference

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30 December 2019

3

1 reference

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30 December 2019

author name string

Razvan A Nistor

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16965073%20AND%20SRC:MED&resulttype=core&format=json

30 December 2019

Jeliazko G Polihronov

series ordinal

2

1 reference

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30 December 2019

Nicholas J Mosey

series ordinal

4

1 reference

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30 December 2019

language of work or name

English

0 references

publication date

1 September 2006

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16965073%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Physics

30 December 2019

published in

1 reference

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30 December 2019

volume

125

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16965073%20AND%20SRC:MED&resulttype=core&format=json

30 December 2019

issue

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16965073%20AND%20SRC:MED&resulttype=core&format=json

30 December 2019

page(s)

094108

1 reference

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Force fields for protein simulations

30 December 2019

cites work

1 reference

Molecular Mechanisms for the Functionality of Lubricant Additives

21 January 2018

1 reference

A fast algorithm for particle simulations

21 January 2018

1 reference

Piezoelectric coefficients by molecular dynamics simulations in the constant stress ensemble: A case study of quartz

21 January 2018

1 reference

Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulations

21 January 2018

1 reference

Ab initio calculation of electrostatic multipoles with Wannier functions for large-scale biomolecular simulations

21 January 2018

1 reference

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

21 January 2018

1 reference

Atomic charges derived from electrostatic potentials: A detailed study

21 January 2018

1 reference

Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

21 January 2018

1 reference

Inhomogeneous Electron Gas

21 January 2018

1 reference

Self-Consistent Equations Including Exchange and Correlation Effects

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

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

21 January 2018

1 reference

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

21 January 2018

1 reference

Reversible multiple time scale molecular dynamics

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.2346671

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16965073%20AND%20SRC:MED&resulttype=core&format=json

30 December 2019

1 reference