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Physical Chemistry

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Pauli repulsion

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4 results in Keywords: Pauli repulsion

Theoretical and Computational Chemistry

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts

Kristian Kříž, Martin Nováček, Jan Řezáč

Version 1 posted 21 December 2020

506

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Physical Chemistry

A simple model for the Pauli Repulsion with possible utility in QM, MM and Chemical Education

JORDY PEETERS, Kenno Vanommeslaeghe

Version 1 posted 27 March 2024

134

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Theoretical and Computational Chemistry

Benchmarking aspects of ab initio fragment models for accurate excimer potential energy surfaces

Bónis Barcza, Ádám B. Szirmai, John F. Stanton, Attila Tajti, Péter G. Szalay

Version 4 posted 10 May 2023

492

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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

101

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