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Are “GAPT Charges” Really Just Charges?
[Image: see text] Generalized atomic polar tensor (GAPT) has turned into a very popular charge model since it was proposed three decades ago. During this period, several works aiming to compare different partition schemes have included it among their tested models. Nonetheless, GAPT exhibits a set o...
| Auteurs principaux: | , , |
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| Format: | Online Article Texte |
| Langue: | English |
| Publié: |
American Chemical
Society
2021
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| Accès en ligne: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8391781/ https://www.ncbi.nlm.nih.gov/pubmed/34324335 http://dx.doi.org/10.1021/acs.jcim.1c00165 |