Variational Principles for Describing Chemical Reactions. Reactivity Indices Based on the External Potential
Author:
Affiliation:
1. Contribution from the Department of Chemistry, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599
Publisher
American Chemical Society (ACS)
Subject
Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis
Link
https://pubs.acs.org/doi/pdf/10.1021/ja002966g
Reference74 articles.
1. Density Functional Theory
2. Chemical reactivity indexes in density functional theory
3. Characterization of Keto-Enol Tautomerism of Acetyl Derivatives from the Analysis of Energy, Chemical Potential, and Hardness
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