A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems. (Q47878341)

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scientific article published in April 2012

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English	A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems.	scientific article published in April 2012

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22519309%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems (English)

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22519309%20AND%20SRC:MED&resulttype=core&format=json

29 January 2020

density functional theory

1 reference

based on heuristic

inferred from title

1

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Europe PubMed Central

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29 January 2020

author name string

Stefan Grimme

2

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Europe PubMed Central

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29 January 2020

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publication date

1 April 2012

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29 January 2020

Journal of Chemical Physics

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29 January 2020

136

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29 January 2020

15

1 reference

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PubMed publication ID

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29 January 2020

154101

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Europe PubMed Central

PubMed publication ID

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29 January 2020

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