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Introducing DDEC6 Atomic Population Analysis: Part 4. Efficient Parallel Computation of Net Atomic Charges, Atomic Spin Moments, Bond Orders, and More

RSC Advances - United Kingdom
doi 10.1039/c7ra11829e
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Abstract

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Categories
ChemistryChemical Engineering
Date

January 1, 2018

Authors
Nidia Gabaldon LimasThomas A. Manz
Publisher

Royal Society of Chemistry (RSC)


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