(Q56880696)

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Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods

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scholarly article

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title

Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods (English)

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main subject

general chemistry

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computational mathematics

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energy landscape

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based on heuristic

inferred from title

density functional theory

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Marcel Swart

1

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Friedrich Matthias Bickelhaupt

object named as

F. Matthias Bickelhaupt

series ordinal

3

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Miquel Solà i Puig

object named as

Miquel Solà

series ordinal

2

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publication date

6 March 2007

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published in

Journal of Computational Chemistry

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volume

28

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issue

9

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page(s)

1551-1560

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cites work

Accuracy of geometries: influence of basis set, exchange?correlation potential, inclusion of core electrons, and relativistic corrections

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reference URL

https://api.crossref.org/works/10.1002%2FJCC.20653

retrieved

21 January 2018

Identifiers

DOI

10.1002/JCC.20653

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DBLP publication ID

journals/jcc/SwartSB07

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stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

PubMed publication ID

17342711

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(Q56880696)

Energy landscapes of nucleophilic substitution reactions: A comparison of density functional theory and coupled cluster methods

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