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Reinhold Fink

2 results in Authors: Reinhold Fink

Theoretical and Computational Chemistry

Rationalizing aggregate structures with orbital contributions to the exchange-repulsion energy

Johannes Henrichsmeyer, Michael Thelen, Marc Bröckel, Mariam Fadel, Stefan Behnle, Majda Sekkal Rahal, Reinhold Fink

Version 1 posted 15 December 2022

145

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Theoretical and Computational Chemistry

What is the exchange-repulsion energy? Insight by partitioning into physically meaningful contributions

Johannes Henrichsmeyer, Michael Thelen, Reinhold F. Fink

Version 1 posted 12 August 2024

89

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