Cycloaddition Reactivities Analyzed by Energy Decomposition Analyses and the Frontier Molecular Orbital Model-Reference-Cited by-同舟云学术

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Cycloaddition Reactivities Analyzed by Energy Decomposition Analyses and the Frontier Molecular Orbital Model

Published:2022-08-25 Issue:17 Volume:55 Page:2467-2479
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Sengupta Arkajyoti¹,Li Bo²,Svatunek Dennis¹^ORCID,Liu Fang³,Houk K. N.¹^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, University of California, Los Angeles 90095, California, United States

2. Department of Chemistry, School of Science, Tianjin University, Tianjin 300072, China

3. College of Sciences, Nanjing Agricultural University, Nanjing 210024, Jiangsu, China

Funder

Division of Chemistry

City of Vienna, Austria

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.accounts.2c00343

Reference70 articles.

1. Frontier molecular orbital theory of cycloaddition reactions

2. Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model

3. Diels−Alder Reactions of Cyclopentadiene and 9,10-Dimethylanthracene with Cyanoalkenes: The Performance of Density Functional Theory and Hartree−Fock Calculations for the Prediction of Substituent Effects

4. The Pauli Repulsion-Lowering Concept in Catalysis

5. A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

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