Expanding the applicability of electrostatic potentials to the realm of transition states-Reference-Cited by-同舟云学术

Expanding the applicability of electrostatic potentials to the realm of transition states

Published:2016 Issue:18 Volume:18 Page:13002-13009
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bhasi Priya¹²³⁴,Nhlabatsi Zanele P.¹²³⁴,Sitha Sanyasi¹²³⁴

Affiliation:

1. Department of Chemistry

2. University of Johannesburg

3. Johannesburg

4. South Africa

Abstract

Electrostatic potentials of the reactants can be used to fine-tune the search coordinates to locate transition states in a reaction potential energy surface.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP01506A

Reference92 articles.

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2. Computational Electrostatics for Biological Applications: Geometric and Numerical Approaches to the Description of Electrostatic Interaction Between Macromolecules, ed. W. Rocchia and M. Spagnuolo, Springer, 2014

3. Molecular electrostatic potentials Concepts and applications, ed. J. S. Murray and K. Sen, Elsevier, 1996

4. The I's have it

5. Aerogen Bonding Interaction: A New Supramolecular Force?

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