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Inorganic Chemistry

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Materials Science

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Physical Chemistry

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Theoretical and Computational Chemistry

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Over 3 years

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Bader charge

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3 results in Keywords: Bader charge

Theoretical and Computational Chemistry

Oxidation States of Binary Oxides from Data Analytics of the Electronic Structure

Sergei Posysaev, Olga Miroshnichenko, Matti Alatalo, Duy Le, Talat S. Rahman

Version 1 posted 22 October 2018

639

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Inorganic Chemistry

Understanding Hardness of Doped WB4.2

Kirill Shumilov, Zerina Mehmedovic,, Hang Ying, Patricia Poths, Selbi Nuryyeva, Ieva Liepuoniute, Chelsea Jang, Isabelle Winardi, Anastassia N. Alexandrova

Version 1 posted 09 March 2021

222

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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

213

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