Charge-based DFT descriptors for Diels-Alder reactions
Author:
Affiliation:
1. Department of Chemistry and Centre for Theoretical Studies; Indian Institute of Technology Kharagpur; Kharagpur 721302 India
2. Department of Chemistry; Ramananda College; Bishnupur Bankura West Bengal India
Publisher
Wiley
Subject
Organic Chemistry,Physical and Theoretical Chemistry
Link
http://onlinelibrary.wiley.com/wol1/doi/10.1002/poc.2987/fullpdf
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1. Electrophilicity Index
2. Understanding the mechanism of non-polar Diels–Alder reactions. A comparative ELF analysis of concerted and stepwise diradical mechanisms
3. Understanding the mechanism of polar Diels–Alder reactions
4. Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels–Alder reactions
5. Net Electrophilicity
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