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Theoretical and Computational Chemistry

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COHP

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2 results in Keywords: COHP

Theoretical and Computational Chemistry

Predicting the stability and electronic structure of alkali metal aurides

Axel Melchor Gaona Carranza, Jesús María Siqueiros, Reyes García Díaz, Jonathan Guerrero Sánchez

Version 1 posted 19 July 2021

602

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Theoretical and Computational Chemistry

LOBSTER: Local Orbital Projections, Atomic Charges, and Chemical Bonding Analysis from Projector-Augmented-Wave-Based DFT

Ryky Nelson, Christina Ertural, Janine George, Volker Deringer, Geoffroy Hautier, Richard Dronskowski

Version 1 posted 25 March 2020

3,292

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