Conceptual Density-Functional Theory for General Chemical Reactions, Including Those That Are Neither Charge- nor Frontier-Orbital-Controlled. 2. Application to Molecules Where Frontier Molecular Orbital Theory Fails
Author:
Affiliation:
1. Department of Chemistry, McMaster University, Hamilton, Ontario, Canada L8S 4M1, and Department of Chemistry, Kansas State University, Manhattan, Kansas 66506-3701
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct6001658
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