Accurate reaction barrier heights of pericyclic reactions : Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies
© 2015 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 36(2015), 9 vom: 05. Apr., Seite 622-32 |
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| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2015
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article CBS-QB3 W1-F12 theory density functional theory benchmarking pericyclic reactions reaction barrier heights |
| Accès en ligne |
Volltext |