Halogen bonding in drug-like molecules: a computational and systematic study of the substituent effect-Reference-Cited by-同舟云学术

Halogen bonding in drug-like molecules: a computational and systematic study of the substituent effect

Published:2016 Issue:66 Volume:6 Page:61837-61847
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Adasme-Carreño Francisco¹²³⁴⁵,Muñoz-Gutierrez Camila¹²³⁴⁵,Alzate-Morales Jans H.¹²³⁴⁵

Affiliation:

1. Centro de Bioinformática y Simulación Molecular

2. Facultad de Ingeniería

3. Universidad de Talca

4. Talca

5. Chile

Abstract

Systematic study of the effect of fourteen chemical groups at the ortho, para and meta positions of NMA⋯halobenzene complexes showed a significant influence on halogen bonding, and also non-additive effects. A comprehensive description is reported.

Funder

Comisión Nacional de Investigación Científica y Tecnológica

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA14837A

Reference81 articles.

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