(Q37165296)

18 August 2017

Variable atomic radii for continuum-solvent electrostatics calculation (English)

1 reference

18 August 2017

Baojing Zhou

1

1 reference

18 August 2017

Manish Agarwal

series ordinal

2

1 reference

18 August 2017

Chung F Wong

series ordinal

3

1 reference

18 August 2017

language of work or name

English

0 references

publication date

1 July 2008

1 reference

Journal of Chemical Physics

18 August 2017

1 reference

18 August 2017

129

1 reference

18 August 2017

1

1 reference

18 August 2017

014509

1 reference

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

18 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671660

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

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671660

Density-functional exchange-energy approximation with correct asymptotic behavior

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671660

The interpretation of protein structures: Estimation of static accessibility

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671660

Areas, volumes, packing and protein structure

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671660

Calculation of solvation free energy from quantum mechanical charge density and continuum dielectric theory

6 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671660

Quantum mechanical continuum solvation models.

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2671660

van der Waals Volumes and Radii

3 September 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

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

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

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

21 January 2018

1 reference

The SIESTA method forab initioorder-Nmaterials simulation

21 January 2018

1 reference

Cavity size in reaction field theory

21 January 2018

1 reference

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

21 January 2018

1 reference

Efficient pseudopotentials for plane-wave calculations

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18624485

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1063/1.2949821

1 reference

18 August 2017

1 reference

18 August 2017

PubMed publication ID

18624485

1 reference