Reconciling simplicity and accuracy: compact valence bond wave functions with breathing orbitals
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference35 articles.
1. What happens to molecules as they react? A valence bond approach to reactivity
2. A qualitative valence-bond approach to organic reactivity
3. A General Approach to Organic Reactivity: The Configuration Mixing Model
4. The single electron shift as a fundamental process in organic chemistry: the relationship between polar and electron-transfer pathways
5. New Concepts for Understanding Organic Reactions;Shaik,1989
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