Calculation of Proton Affinities Using Density Functional Procedures: A Critical Study
Author:
Affiliation:
1. Ecole Nationale Superieure de Chimie de Montpellier, URA 418 CNRS, 8 Rue de l'Ecole Normale, 34053 Montpellier, Cedex-1, France
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9603750
Reference31 articles.
1. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
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3. An evaluation of the performance of density functional theory, MP2, MP4, F4, G2(MP2) and G2 procedures in predicting gas-phase proton affinities
4. Gaussian‐2 theory using reduced Mo/ller–Plesset orders
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