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  Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections

Dodia, M., Ohto, T., Imoto, S., & Nagata, Y. (2019). Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections. Journal of Chemical Theory and Computation, 15(6), 3836-3843. doi:10.1021/acs.jctc.9b00253.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0003-D7D7-8 Version Permalink: http://hdl.handle.net/21.11116/0000-0004-560E-D
Genre: Journal Article

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acs.jctc.9b00253.pdf (Publisher version), 963KB
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acs.jctc.9b00253.pdf
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Copyright Date:
2019
Copyright Info:
American Chemical Society

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 Creators:
Dodia, Mayank1, Author              
Ohto, Tatsuhiko2, Author              
Imoto, Sho1, Author              
Nagata, Yuki1, Author              
Affiliations:
1Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society, ou_1800285              
2Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka, Japan, ou_persistent22              

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Language(s): eng - English
 Dates: 20192019
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1021/acs.jctc.9b00253
 Degree: -

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Project name : MaxWater
Grant ID : -
Funding program : -
Funding organization : Max Planck Society

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Title: Journal of Chemical Theory and Computation
  Other : J. Chem. Theory Comput.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 15 (6) Sequence Number: - Start / End Page: 3836 - 3843 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832