Response to comment on "Superposition of waves or densities : Which is the nature of chemical resonance?"
© 2021 Wiley Periodicals LLC.
| Publié dans: | Journal of computational chemistry. - 1984. - 42(2021), 19 vom: 15. Juli, Seite 1341-1343 |
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| Auteur principal: | |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2021
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Letter chemical bonding natural resonance theory resonance theory valence bond theory wave function analysis |
| Résumé: | © 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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| Description: | Date Revised 15.06.2021 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1096-987X |
| DOI: | 10.1002/jcc.26523 |