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Nidia Gabaldon Limas

1 paper hereh-index 61.1k citations11 works total

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  • last author1

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  • physics.chem-ph1

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collaborators

1 paper

physics.chem-ph2015

DDEC6: A Method for Computing Even-Tempered Net Atomic Charges in Periodic and Nonperiodic Materials

Thomas A. Manz, Nidia Gabaldon Limas

Net atomic charges (NACs) are widely used in all chemical sciences to concisely summarize key information about the partitioning of electrons among atoms in materials. Although wid…

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