Zero-Flux Surfaces of the Electrostatic Potential: The Border of Influence Zones of Nucleophilic and Electrophilic Sites in Crystalline Environment-Reference-Cited by-同舟云学术

Zero-Flux Surfaces of the Electrostatic Potential: The Border of Influence Zones of Nucleophilic and Electrophilic Sites in Crystalline Environment

Published:2007-08-30 Issue:39 Volume:111 Page:9859-9870
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Mata Ignasi¹,Molins Elies¹,Espinosa Enrique¹

Affiliation:

1. Institut de Ciència de Materials de Barcelona (ICMAB-CSIC), Campus UAB, 08193 Bellaterra, Spain, and Laboratoire de Cristallographie et Modélisation des Matériaux Minéraux et Biologiques, LCM3B, UMR CNRS 7036, Faculté des Sciences Université Henri Poincaré− Nancy 1, BP 239, 54506 Vandoeuvre-lès-Nancy, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp074032l

Reference37 articles.

1. Chemical Applications of Atomic and Molecular Electrostatic Potentials

3. Molecular electrostatic potential and field as descriptors of hydrogen bonding and molecular activity. Effects of hybridization displacement charge

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