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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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التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: Richter, Wagner E., Duarte, Leonardo J., Bruns, Roy E.
التنسيق: Online مقال نص
اللغة:English
منشور في: American Chemical Society 2021
الوصول للمادة أونلاين: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