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Luchini, Guilian
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Luchini, Guilian
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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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Dataset
Select result number 5
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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Dataset
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Related Subjects
GoodVibes
Quantum Chemistry
Thermodynamics
quasi-RRHO
quasi-harmonic
Automation
Thermochemistry
automation
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