(Q37129262)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

title

Quantum mechanics/molecular mechanics electrostatic embedding with continuous and discrete functions (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

0 references

Gerardo Andrés Cisneros

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

author name string

Jean-Philip Piquemal

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

Thomas A Darden

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

language of work or name

English

0 references

publication date

1 July 2006

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

Journal of Physical Chemistry B

26 December 2019

published in

1 reference

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26 December 2019

volume

110

1 reference

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26 December 2019

issue

28

1 reference

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26 December 2019

page(s)

13682-13684

1 reference

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Towards a force field based on density fitting

26 December 2019

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2656107

Intermolecular electrostatic energies using density fitting

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2656107

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2656107

A CSOV study of the difference between HF and DFT intermolecular interaction energy values: the importance of the charge transfer contribution

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2656107

An environmental pseudopotential approach to molecular interactions: Implementation in MOLPRO

3 September 2018

1 reference

12 December 2020

On the electron leak problem in orbital-free embedding calculations

1 reference

12 December 2020

A Critical Evaluation of Different QM/MM Frontier Treatments with SCC-DFTB as the QM Method

1 reference

12 December 2020

Towards accurate solvation dynamics of divalent cations in water using the polarizable amoeba force field: From energetics to structure

1 reference

12 December 2020

Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution

1 reference

12 December 2020

Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM.

1 reference

12 December 2020

Identifiers

DOI

10.1021/JP062768X

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:16836309%20AND%20SRC:MED&resulttype=core&format=json

26 December 2019

PubMed publication ID

16836309

1 reference