Efficient optimization of natural resonance theory weightings and bond orders by gram-based convex programming
© 2019 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 40(2019), 23 vom: 05. Sept., Seite 2028-2035 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2019
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, U.S. Gov't, Non-P.H.S. bond order chemical bonding convex optimization natural bond orbital natural resonance theory wavefunction analysis |
| Accès en ligne |
Volltext |