Kinetics and Thermodynamics of Reactions Involving Criegee Intermediates An Assessment of Density Functional Theory and Ab Initio Methods Through Comparison with CCSDT(Q)/CBS Data

Kinetics and Thermodynamics of Reactions Involving Criegee Intermediates : An Assessment of Density Functional Theory and Ab Initio Methods Through Comparison with CCSDT(Q)/CBS Data

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 41(2020), 4 vom: 05. Feb., Seite 328-339
1. Verfasser: Smith, Cameron D (VerfasserIn)
Weitere Verfasser: Karton, Amir
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2020
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article CCSDT(Q) Criegee intermediate G4(MP2) theory ab initio methods density functional theory
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