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Organic Chemistry

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Physical Chemistry

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Theoretical and Computational Chemistry

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Paul W. Ayers

3 results in Authors: Paul W. Ayers

Theoretical and Computational Chemistry

Understanding Chemical Selectivity Through Well Selected Excited States

Frédéric Guégan, Thomas Pigeon, Frank de Proft, Vincent Tognetti, Laurent Joubert, Henry Chermette, Paul W. Ayers, Dominique Luneau, Christophe Morell

Version 1 posted 23 October 2019

943

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Physical Chemistry

Orbital Energies and Nuclear Forces in DFT: Interpretation and Validation

Rubén Laplaza, Julia Contreras-Garcia, Patrick Chaquin, Carlos Cardenas, Paul W. Ayers

Version 1 posted 24 June 2020

595

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Organic Chemistry

Global and Local Reactivity Descriptors Based on Quadratic and Linear Energy Models for α,β-Unsaturated Organic Compounds

Javier Oller, Patricia Perez, Paul W. Ayers, Esteban Vöhringer-Martinez

Version 1 posted 06 February 2018

1,018

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