Substituent effect in theoretical VCD spectra

Author:

Lipiński Piotr F. J.1234,Dobrowolski Jan Cz.5678

Affiliation:

1. Department of Neuropeptides

2. Mossakowski Medical Research Center

3. Polish Academy of Sciences

4. 02-106 Warsaw, Poland

5. National Medicines Institute

6. 00-725 Warsaw, Poland

7. Institute of Nuclear Chemistry and Technology

8. 03-195 Warsaw, Poland

Abstract

A correlational study shows for the first time a quantitative substituent effect on Vibrational Circular Dichroism intensity.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Reference28 articles.

1. L. P. Hammett , Physical Organic Chemistry , McGraw-Hill , 2nd edn, 1970

2. Sigma- and Pi-Electron Delocalization:  Focus on Substituent Effects

3. A. Williams , Free Energy Relationships in Organic and Bio-organic Chemistry , Royal Society of Chemistry , 2003

4. J. Shorter , Advances in linear free energy relationships , Plenum Press , 1972

5. O. Exner , Correlation analysis of chemical data , Plenum Press , 1988

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2. Substituent effect in theoretical ROA spectra;RSC Advances;2016

3. On tautomerism of 1,2,4-triazol-3-ones;Computational and Theoretical Chemistry;2015-01

4. Local chirality measures in QSPR : IR and VCD spectroscopy;RSC Adv.;2014-09-15

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