Progressive Systematic Underestimation of Reaction Energies by the B3LYP Model as the Number of C−C Bonds Increases: Why Organic Chemists Should Use Multiple DFT Models for Calculations Involving Polycarbon Hydrocarbons
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, Illinois 60115
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jo051545k
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1. Experimental and Computational Studies of Trialkylaluminum and Alkylaluminum Chloride Reactions with Silica
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