Prediction of Electron Densities, the Respective Laplacians, and Ellipticities in Bond-Critical Points of Phenyl−CH−Bonds via Linear Relations to Parameters of Inherently Localized CD Stretching Vibrations and 1H NMR-Shifts
Author:
Affiliation:
1. Institute of Physical Chemistry, Friedrich-Schiller-University Jena, Helmholzweg 4, 07743 Jena, Germany
2. Institute of Photonic Technology, Albert-Einstein-Str. 9, 07745 Jena, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp809601a
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