Response to comment on "Superposition of waves or densities : Which is the nature of chemical resonance?"
© 2021 Wiley Periodicals LLC.
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 42(2021), 19 vom: 15. Juli, Seite 1341-1343 |
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| 1. Verfasser: | |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2021
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Letter chemical bonding natural resonance theory resonance theory valence bond theory wave function analysis |
| Zusammenfassung: | © 2021 Wiley Periodicals LLC. I reply to the comment by Weinhold and Glendening on the article (J. Comput. Chem. 2021, 42, 412). I provide further explanation and an additional numerical example to support my previous assertion that the present form of natural resonance theory is fundamentally flawed, at least within the DFT framework |
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| Beschreibung: | Date Revised 15.06.2021 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1096-987X |
| DOI: | 10.1002/jcc.26523 |