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chemical theory

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2 results in Keywords: chemical theory

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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Chemical Engineering and Industrial Chemistry

A Bond-Energy/Bond-Order and Populations Relationship

Barbaro Zulueta, Sonia Tulyani, Philip Westmoreland, Michael Frisch, E. James Petersson, George Petersson, John Keith

Version 1 posted 07 April 2022

869

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