(Q37119730)

18 August 2017

Performance of SM8 on a test to predict small-molecule solvation free energies (English)

1 reference

18 August 2017

Christopher J Cramer

2

0 references

Donald Truhlar

object named as

Donald G Truhlar

series ordinal

3

0 references

Adam C. Chamberlin

series ordinal

1

object named as

Adam C Chamberlin

1 reference

PMC publication ID

2652251

18 August 2017

language of work or name

English

0 references

publication date

26 June 2008

1 reference

Journal of Physical Chemistry B

18 August 2017

1 reference

18 August 2017

112

1 reference

18 August 2017

29

1 reference

18 August 2017

8651-8655

1 reference

Development and testing of a general amber force field

18 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

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

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

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

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

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

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

Density-functional exchange-energy approximation with correct asymptotic behavior

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

Free energy via molecular simulation: applications to chemical and biomolecular systems

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

Predicting small-molecule solvation free energies: an informal blind test for computational chemistry

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

Quantum mechanical continuum solvation models.

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

Density Functionals with Broad Applicability in Chemistry

3 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2652251

Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems

4 December 2018

1 reference

12 December 2020

SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute−Water Clusters

1 reference

12 December 2020

Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges

1 reference

12 December 2020

Charge Model 4 and Intramolecular Charge Polarization

1 reference

12 December 2020

Identifiers

DOI

10.1021/JP8028038

1 reference

18 August 2017

1 reference

PMC publication ID

2652251

18 August 2017

PubMed publication ID

18582013

1 reference

PMC publication ID

2652251