(Q51612956)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20405982%20AND%20SRC:MED&resulttype=core&format=json

31 January 2020

title

Basis set consistent revision of the S22 test set of noncovalent interaction energies (English)

1 reference

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31 January 2020

5

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31 January 2020

author name string

Tait Takatani

1

1 reference

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31 January 2020

Edward G Hohenstein

2

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31 January 2020

Massimo Malagoli

3

1 reference

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31 January 2020

Michael S Marshall

4

1 reference

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31 January 2020

language of work or name

English

0 references

publication date

1 April 2010

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Journal of Chemical Physics

31 January 2020

published in

1 reference

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31 January 2020

volume

132

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31 January 2020

issue

14

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31 January 2020

page(s)

144104

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Estimates of the ab initio limit for pi-pi interactions: the benzene dimer

31 January 2020

cites work

1 reference

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21 January 2018

1 reference

Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.

21 January 2018

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21 January 2018

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21 January 2018

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Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions

21 January 2018

1 reference

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21 January 2018

1 reference

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21 January 2018

1 reference

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared withab initioquantum mechanics calculations

21 January 2018

1 reference

Toward true DNA base-stacking energies: MP2, CCSD(T), and complete basis set calculations

21 January 2018

1 reference

Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes.

21 January 2018

1 reference

Can the DFT-D method describe the full range of noncovalent interactions found in large biomolecules?

21 January 2018

1 reference

Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions

21 January 2018

1 reference

Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes

21 January 2018

1 reference

Semiempirical double-hybrid density functional with improved description of long-range correlation

21 January 2018

1 reference

Long-range corrected density functional study on weakly bound systems: balanced descriptions of various types of molecular interactions.

21 January 2018

1 reference

Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability

21 January 2018

1 reference

Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark data

21 January 2018

1 reference

High-accuracy quantum mechanical studies of pi-pi interactions in benzene dimers

21 January 2018

1 reference

Further analysis and comparative study of intermolecular interactions using dimers from the S22 database

21 January 2018

1 reference

Benzene Dimer: High-Level Wave Function and Density Functional Theory 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

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

High performance computational chemistry: An overview of NWChem a distributed parallel application

21 January 2018

1 reference

Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods

21 January 2018

1 reference

Nature of Base Stacking: Reference Quantum-Chemical Stacking Energies in Ten Unique B-DNA Base-Pair Steps

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

Spin-Component Scaling Methods for Weak and Stacking Interactions

21 January 2018

1 reference

Convergence of the CCSD(T) Correction Term for the Stacked Complex Methyl Adenine−Methyl Thymine: Comparison with Lower-Cost Alternatives

21 January 2018

1 reference