Electron Dynamics with Explicit-Time Density Functional Theory of the [4+2] Diels–Alder Reaction
Author:
Affiliation:
1. Department of Chemistry “G. Ciamician”, Alma Mater Studiorum − University of Bologna, via Selmi 2, Bologna 40126, Italy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00690
Reference26 articles.
1. Principles of an Electronic Theory of Organic Reactions.
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3. The Nature of the Chemical Bond. VI. The Calculation from Thermochemical Data of the Energy of Resonance of Molecules Among Several Electronic Structures
4. The Nature of the Chemical Bond. VII. The Calculation of Resonance Energy in Conjugated Systems
5. Theoretical Study of the Aromatic Character of the Transition States of Allowed and Forbidden Cycloadditions
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