Structure of Hydrophobic Hydration of Benzene and Hexafluorobenzene from First Principles-Reference-Cited by-同舟云学术

Structure of Hydrophobic Hydration of Benzene and Hexafluorobenzene from First Principles

Published:2007-01-17 Issue:5 Volume:111 Page:1081-1089
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Allesch Markus¹,Schwegler Eric¹,Galli Giulia¹

Affiliation:

1. Department of Theoretical and Computational Physics, Graz University of Technology, Graz, Austria, Lawrence Livermore National Laboratory, P.O. Box 808, Livermore, California 84559, and University of California, Davis, Davis, California 95616

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp065429c

Reference75 articles.

1. The C6H6–(H2O)2 complex: Theoretical predictions of the structure, energetics, and tunneling dynamics

2. Dissociation energy of the benzenewater van der Waals complex

3. Quadrupole moments of benzene, hexafluorobenzene and other non-dipolar aromatic molecules

4. Ab initio studies of the complexes of benzene with carbon monoxide and formaldehyde

5. Non-conventional hydrogen bonds

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