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Title: Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2]
  1. Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093, USA
  2. Department of Chemistry and Biochemistry, Materials Science and Engineering, and San Diego Supercomputer Center, University of California San Diego, La Jolla, California 92093, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1414871
Grant/Contract Number:
DEAC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 147; Journal Issue: 24; Related Information: CHORUS Timestamp: 2018-02-14 10:21:01; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Reddy, Sandeep K., Moberg, Daniel R., Straight, Shelby C., and Paesani, Francesco. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function. United States: N. p., 2017. Web. doi:10.1063/1.5006480.
Reddy, Sandeep K., Moberg, Daniel R., Straight, Shelby C., & Paesani, Francesco. Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function. United States. doi:10.1063/1.5006480.
Reddy, Sandeep K., Moberg, Daniel R., Straight, Shelby C., and Paesani, Francesco. Thu . "Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function". United States. doi:10.1063/1.5006480.
@article{osti_1414871,
title = {Temperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function},
author = {Reddy, Sandeep K. and Moberg, Daniel R. and Straight, Shelby C. and Paesani, Francesco},
abstractNote = {},
doi = {10.1063/1.5006480},
journal = {Journal of Chemical Physics},
number = 24,
volume = 147,
place = {United States},
year = {Thu Dec 28 00:00:00 EST 2017},
month = {Thu Dec 28 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on December 26, 2018
Publisher's Accepted Manuscript

Citation Metrics:
Cited by: 9 works
Citation information provided by
Web of Science

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