Parameterization of Halogens for the Density-Functional Tight-Binding Description of Halide Hydration-Reference-Cited by-同舟云学术

Parameterization of Halogens for the Density-Functional Tight-Binding Description of Halide Hydration

Published:2013-08-01 Issue:8 Volume:9 Page:3321-3332
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jahangiri Soran¹,Dolgonos Grygoriy²,Frauenheim Thomas²,Peslherbe Gilles H.¹

Affiliation:

1. Centre for Research in Molecular Modeling (CERMM) and Department of Chemistry and Biochemistry, Concordia University, 7141 Sherbrooke Street West, Montréal, Québec, Canada H4B 1R6

2. Bremen Center for Computational Materials Science, University of Bremen, Am Fallturm 1, 28359 Bremen, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct300919h

Reference77 articles.

1. The Ionic Hydrogen Bond

2. Specific Ion Effects at the Air/Water Interface

3. Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces

4. Effect of Ions on the Structure of Water: Structure Making and Breaking

5. Progress in Modeling of Ion Effects at the Vapor/Water Interface

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