Search

Categories

Inorganic Chemistry

(1)

Materials Science

(1)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(3)

Keywords

Bader Charge

Authors

3 results in Keywords: Bader Charge

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

605

Downloads

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

267

Downloads

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

691

Downloads