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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...

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Bibliografski detalji
Glavni autori: Richter, Wagner E., Duarte, Leonardo J., Bruns, Roy E.
Format: Online Članak Tekst
Jezik:English
Izdano: American Chemical Society 2021
Online pristup: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