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Atomic Charges

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4 results in Keywords: Atomic Charges

Theoretical and Computational Chemistry

Mulliken-Dipole Population Analysis

Daniel G Trabada, Diego Soler-Polo, Jesus I. Mendieta-Moreno, José Ortega

Version 1 posted 28 July 2020

4,012

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1

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Organic Chemistry

Machine learning determination of new Hammett's constants for meta- and para-substituted benzoic acid derivatives employing quantum chemical atomic charge methods

Gabriel Monteiro-de-Castro, Julio Cesar Duarte, Itamar Borges Jr.

Version 1 posted 23 February 2023

443

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1

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Theoretical and Computational Chemistry

Are GAPT Charges Really Charges?

Wagner Richter, Leonardo J. Duarte, Roy E. Bruns

Version 1 posted 16 March 2021

300

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Biological and Medicinal Chemistry

Host Dynamics under General-Purpose Force Fields

Xiaohui Wang, Zhe Huai, Zhaoxi Sun

Version 2 posted 04 May 2023

203

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1

Citations