Infrared Spectroscopy and Hydrogen-Bond Dynamics of Liquid Water from Centroid Molecular Dynamics with an Ab Initio-Based Force Field-Reference-Cited by-同舟云学术

Infrared Spectroscopy and Hydrogen-Bond Dynamics of Liquid Water from Centroid Molecular Dynamics with an Ab Initio-Based Force Field

Published:2009-09-01 Issue:39 Volume:113 Page:13118-13130
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Paesani Francesco¹,Xantheas Sotiris S.¹,Voth Gregory A.¹

Affiliation:

1. Center for Biophysical Modeling and Simulation and Department of Chemistry, University of Utah, 315 South 1400 East Room 2020, Salt Lake City, Utah 84112-0850, and Chemical and Materials Sciences Division, Pacific Northwest National Laboratory, 902 Battelle Boulevard, P.O. Box 999, MS K1-83, Richland, Washington 99352

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/jp907648y

Reference171 articles.

1. The Structure of the First Coordination Shell in Liquid Water

2. High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs

3. Energetics of Hydrogen Bond Network Rearrangements in Liquid Water

4. Tetrahedral structure or chains for liquid water

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