High-Level ab Initio Calculations of Torsional Potential of Phenol, Anisole, and o-Hydroxyanisole: Effects of Intramolecular Hydrogen Bond
Author:
Affiliation:
1. National Institute of Materials and Chemical Research, Tsukuba, Ibaraki 305-8565, Japan, and National Institute for Advanced Interdisciplinary Research, Tsukuba, Ibaraki 305-8562, Japan
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp993607e
Reference55 articles.
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2. Vibrational spectra and torsional barriers of anisole and some monohalogen derivatives
3. Microwave spectrum and molecular conformation of p-fluoroanisole
4. On the Structure of Gaseous Anisole.
5. Infrared intensities as a quantitative measure of intramolecular interactions. Part XXXIV. Quantitative relations between conjugation and strain energies and σ°Rvalues: rotational barriers in monosubstituted benzenes
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