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Keywords

molecular orbital theory

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5 results in Keywords: molecular orbital theory

Materials Science

Quantifying Atomic Volume, Partial Charge and Electronegativity in Condensed Phases

Stefano Racioppi, Per Hyldgaard, Martin Rahm

Version 1 posted 21 November 2023

200

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Theoretical and Computational Chemistry

Revealing the Nature of Electron Correlation in Transition Metal Complexes with Symmetry-Breaking and Chemical Intuition

James Shee, Matthias Loipersberger, Diptarka Hait, Joonho Lee, Martin Head-Gordon

Version 1 posted 17 February 2021

439

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Materials Chemistry

Chemical Interpretation of Charged Point Defects in Semiconductors: A Case Study of Mg2Si

Michael Toriyama, Madison Brod, G Jeffrey Snyder

Version 1 posted 23 August 2021

668

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1

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Materials Science

Finding the Order in Complexity: The Electronic Structure of 14-1-11 Zintl Compounds

Yukun Liu, Michael Toriyama, Zizhen Cai, Mengjia Zhao, Fei Liu, G. Jeffrey Snyder

Version 1 posted 12 October 2021

464

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Inorganic Chemistry

Lewis Structures and the Bonding Classification of End-on Bridging Dinitrogen Transition Metal Complexes

Faraj Hasanayn, Patrick Holland, Alan Goldman, Alexander Miller

Version 1 posted 17 November 2022

521

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1

Citations