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Exploring the accuracy of relative molecular energies with local correlation theory
Joseph E. Subotnik
, Martin Head-Gordon
Research output
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Contribution to journal
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Article
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peer-review
12
Scopus citations
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Dive into the research topics of 'Exploring the accuracy of relative molecular energies with local correlation theory'. Together they form a unique fingerprint.
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Engineering
Energy Barrier
100%
Broad Range
100%
Potential Energy
100%
Mols
100%
Barrier Height
100%
Energy Surface
100%
Alkane
100%
Local Model
100%
Correlation Model
100%
Electron Capture
100%
Atomisation Energy
100%
Chemistry
Coupled Cluster
100%
CCSD
66%
Transition State
33%
Diels-Alder Reaction
33%
Electron Affinity
33%
Energy Barrier
33%
Potential Energy Surface
33%
Dipeptide
33%
Electron Correlation
33%
Enthalpy of Atomization
33%
Electron Capture
33%
Electron Attachment
33%
Isomerization
33%
Alkane
33%
Chemical Engineering
Atomizer Nozzle
100%
Keyphrases
State Attachment
33%
Alkane Isomers
33%
Material Science
Dipeptide
50%