(Q46647058)

23 December 2017

title

Approximating quantum many-body intermolecular interactions in molecular clusters using classical polarizable force fields (English)

1 reference

23 December 2017

author name string

Gregory J O Beran

series ordinal

1

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23 December 2017

language of work or name

English

0 references

publication date

1 April 2009

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23 December 2017

Journal of Chemical Physics

published in

1 reference

23 December 2017

volume

130

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23 December 2017

issue

16

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23 December 2017

page(s)

164115

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23 December 2017

Molecular Electronic-Structure Theory

cites work

1 reference

Advances in correlated electronic structure methods for solids, surfaces, and nanostructures.

21 January 2018

1 reference

Accurate description of van der Waals complexes by density functional theory including empirical corrections

21 January 2018

1 reference

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications.

21 January 2018

1 reference

Comment on "Beyond the benzene dimer: an investigation of the additivity of pi-pi interactions".

21 January 2018

1 reference

Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis

21 January 2018

1 reference

Beyond the benzene dimer: an investigation of the additivity of pi-pi interactions.

21 January 2018

1 reference

Fast electron correlation methods for molecular clusters without basis set superposition errors

21 January 2018

1 reference

Perturbation Theory Approach to Intermolecular Potential Energy Surfaces of van der Waals Complexes

21 January 2018

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The hydrogen bond in the solid state

21 January 2018

1 reference

Extending the power of quantum chemistry to large systems with the fragment molecular orbital method

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Fast electron-correlation methods for molecular crystals: an application to the alpha, beta(1), and beta(2) modifications of solid formic acid

21 January 2018

1 reference

Direct calculation of electron density in density-functional theory

21 January 2018

1 reference

The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry

21 January 2018

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A Resolution-Of-The-Identity Implementation of the Local Triatomics-In-Molecules Model for Second-Order Møller-Plesset Perturbation Theory with Application to Alanine Tetrapeptide Conformational Energies

21 January 2018

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Force fields for protein simulations

21 January 2018

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Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations

21 January 2018

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Linear scaling density fitting.

21 January 2018

1 reference

Hartree-Fock exchange computed using the atomic resolution of the identity approximation.

21 January 2018

1 reference

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

21 January 2018

1 reference

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

21 January 2018

1 reference

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21 January 2018

1 reference

Structure and Stability of Water Clusters (H2O)n,n= 8−20: An Ab Initio Investigation

21 January 2018

1 reference

Electrostatically Embedded Many-Body Expansion for Large Systems, with Applications to Water Clusters

21 January 2018

1 reference

Electrostatically Embedded Many-Body Correlation Energy, with Applications to the Calculation of Accurate Second-Order Møller−Plesset Perturbation Theory Energies for Large Water Clusters

21 January 2018

1 reference

Electrostatically Embedded Many-Body Expansion for Simulations

21 January 2018

1 reference

Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms

21 January 2018

1 reference

Chapter 10 The Effective Fragment Potential: A General Method for Predicting Intermolecular Interactions

21 January 2018

1 reference

Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3121323

1 reference

23 December 2017

release_j74otfwtb5dezayt4m6s5rc7ny

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/j74otfwtb5dezayt4m6s5rc7ny

mapped directly with Wikidata item

24 November 2022

based on heuristic

PubMed ID

19405569

1 reference

23 December 2017