Appraisal of Through-Bond and Through-Space Substituent Effects via Molecular Electrostatic Potential Topography

Through-bond (TB) and through-space (TS) substituent effects in substituted alkyl, alkenyl, and alkynyl arenes are quantified separately using molecular electrostatic potential (MESP) topographical analysis. The deepest MESP point over the aromatic ring (V min) is considered as a probe for monitorin...

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Bibliographic Details

Published in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 114; no. 46; pp. 12330 - 12333
Main Authors:	Sayyed, Fareed Bhasha, Suresh, Cherumuttathu H., Gadre, Shridhar R.
Format:	Journal Article
Language:	English
Published:	United States American Chemical Society 25-11-2010
Subjects:	A: Molecular Structure, Quantum Chemistry, General Theory Hydrocarbons, Aromatic - chemistry Hydrocarbons, Aromatic - metabolism Models, Chemical Molecular Structure Static Electricity
Online Access:	Get full text
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