Volume 108, 2012

Computational organic chemistry

Abstract

This review highlights achievements in computational organic chemistry in 2011, including (1) identification of tunneling control, (2) examples of non-statistical dynamic effects in simple organic reactions, (3) use of computed NMR and optical spectra to aid in structure identification, and (4) a re-evaluation of the electrophilic aromatic substitution reaction.

Article information

Article type
Review Article
First published
15 Jun 2012

Annu. Rep. Prog. Chem., Sect. B: Org. Chem., 2012,108, 334-352

Computational organic chemistry

S. M. Bachrach, Annu. Rep. Prog. Chem., Sect. B: Org. Chem., 2012, 108, 334 DOI: 10.1039/C2OC90002E

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