Regularities in Energies and Geometries of Biaryls: An ab Initio Electronic Structure Study
Author:
Affiliation:
1. Department of Chemistry and Supercomputer Computations Research Institute, Florida State University, Tallahassee, Florida 32306-3006
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp961298b
Reference13 articles.
1. 858. The formation of aromatic hydrocarbons at high temperatures. Part IX. The pyrolysis of toluene, ethylbenzene, propylbenzene, and butylbenzene
2. Sarofim, A. F.; Longwell, J. P.; Wornat, M. J.; Mukherjee, J.The Role of Biaryl Reactions in the PAH and Soot Formation; Springer Ser. Chem. Phys; Springer: New York, 1994; Vol. 59, p 485.
3. Semiempirical molecular orbital estimation of the relative stability of bianthryls produced by anthracene pyrolysis
4. Energetics and Site Specificity of the Homolytic C−H Bond Cleavage in Benzenoid Hydrocarbons: An ab Initio Electronic Structure Study
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