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  Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation

Ohto, T., Dodia, M., Imoto, S., & Nagata, Y. (2019). Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation. Journal of Chemical Theory and Computation, 15(1), 595-602. doi:10.1021/acs.jctc.8b00567.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-DF64-3 Version Permalink: http://hdl.handle.net/21.11116/0000-0002-DF65-2
Genre: Journal Article

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 Creators:
Ohto, Tatsuhiko1, Author              
Dodia, Mayank2, Author              
Imoto, Sho2, Author              
Nagata, Yuki2, Author              
Affiliations:
1Osaka Univ, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan, ou_persistent22              
2Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society, ou_1800285              

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Language(s): eng - English
 Dates: 20182019
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1021/acs.jctc.8b00567
 Degree: -

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Title: Journal of Chemical Theory and Computation
  Other : J. Chem. Theory Comput.
Source Genre: Journal
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Affiliations:
Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 15 (1) Sequence Number: - Start / End Page: 595 - 602 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832