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Pauli repulsion

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4 results in Keywords: Pauli repulsion

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

Kristian Kříž, Martin Nováček, Jan Řezáč

Version 1 posted 21 December 2020

669

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by ChemRxiv

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

636

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by ChemRxiv

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

310

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by ChemRxiv

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

306

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by ChemRxiv