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exchange-repulsion

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2 results in Keywords: exchange-repulsion

Physical Chemistry

A Many-Body, Fully Polarizable Approach to QM/MM Simulations

Eleftherios Lambros, Filippo Lipparini, G. Andres Cisneros, Paesani Lab

Version 2 posted 05 October 2020

665

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Theoretical and Computational Chemistry

Levels of symmetry adapted perturbation theory (SAPT). II. Convergence of interaction energy components

Jeffrey Schriber, Daniel Cheney, C. David Sherrill

Version 1 posted 27 April 2023

494

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1

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