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Inorganic Chemistry

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electron localization

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2 results in Keywords: electron localization

Theoretical and Computational Chemistry

When is a bond broken? The polarizability perspective.

Diptarka Hait, Martin Head-Gordon

Version 1 posted 18 August 2023

967

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Physical Chemistry

Predicting Phosphorescence Energies and Inferring Wavefunction Localization with Machine Learning

Andrew E. Sifain, Levi Lystrom, Richard A. Messerly, Justin Smith, Benjamin Nebgen, Kipton Barros, Sergei Tretiak, Nicholas Lubbers, Brendan J. Gifford

Version 3 posted 30 June 2021

737

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