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Data Supporting GoodVibes: Automating and applying thermodynamic corrections to harmonic frequency calculations
by
Luchini, Guilian
,
Alegre-Requena, Juan V.
,
Paton, Robert S.
Published 2020
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2
Data Supporting GoodVibes: automated thermochemistry for heterogeneous computational chemistry data
by
Luchini, Guilian
,
Alegre-Requena, Juan V.
,
Paton, Robert S.
Published 2020
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3
Data Supporting GoodVibes: automated thermochemistry for heterogeneous computational chemistry data
by
Luchini, Guilian
,
Alegre-Requena, Juan V.
,
Paton, Robert S.
Published 2020
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4
Data Supporting GoodVibes: automated thermochemistry for heterogeneous computational chemistry data
by
Luchini, Guilian
,
Alegre-Requena, Juan V.
,
Paton, Robert S.
Published 2020
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5
Data Supporting GoodVibes: Automating and applying thermodynamic corrections to harmonic frequency calculations
by
Luchini, Guilian
,
Alegre-Requena, Juan V.
,
Paton, Robert S.
Published 2020
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5
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Alegre-Requena, Juan V.
5
Luchini, Guilian
5
Paton, Robert S.
5
Topic
GoodVibes
5
Quantum Chemistry
5
Thermodynamics
5
quasi-RRHO
5
quasi-harmonic
Automation
3
Thermochemistry
3
automation
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Content Provider
DataCite Metadata Store (German National Library of Science and Technology)
3
Zenodo
2
Language
English
5
Open Polar Keyword
Orca
5
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