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Theoretical and Computational Chemistry

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Atoms in molecules

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2 results in Keywords: Atoms in molecules

Theoretical and Computational Chemistry

TMtopo Dataset — Quantum Geometries and Density Topology for 1.1k Transition Metal Complexes

Filipe Teixeira, Edgar Silva-Santos, M. Natália D. S. Cordeiro

Version 1 posted 25 February 2021

249

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Theoretical and Computational Chemistry

Oxygen Redox Activity in Cathodes – a Common Phenomenon Calling for Density-Based Descriptors

Daniel Koch, Sergei Manzhos

Version 1 posted 22 May 2020

501

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