Performance Assessment of Semiempirical Molecular Orbital Methods in Describing Halogen Bonding: Quantum Mechanical and Quantum Mechanical/Molecular Mechanical-Molecular Dynamics Study-Reference-Cited by-同舟云学术

Performance Assessment of Semiempirical Molecular Orbital Methods in Describing Halogen Bonding: Quantum Mechanical and Quantum Mechanical/Molecular Mechanical-Molecular Dynamics Study

Published:2011-09-26 Issue:10 Volume:51 Page:2549-2559
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ibrahim Mahmoud A. A.¹²

Affiliation:

1. School of Chemistry, University of Manchester, Oxford Road, Manchester M139PL, United Kingdom

2. Chemistry Department, Faculty of Science, Minia University, Minia 61519, Egypt

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci2002582

Reference85 articles.

1. Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design

2. Halogen Bonding—A Novel Interaction for Rational Drug Design?

3. Hydrogen–Hydrogen Bonding: A Stabilizing Interaction in Molecules and Crystals

4. Hydrogen Bridges in Crystal Engineering: Interactions without Borders

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