Polarizable Site Charge Model at Liquid/Solid Interfaces for Describing Surface 
Polarity: Application to Structure and Molecular Dynamics of Water/Rutile 
TiO2(110) Interface

Nakamura, H.; Ohto, Tatsuhiko; Nagata, Yuki

doi:10.1021/ct300998z

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Polarizable Site Charge Model at Liquid/Solid Interfaces for Describing Surface Polarity: Application to Structure and Molecular Dynamics of Water/Rutile TiO2(110) Interface

Nakamura, H., Ohto, T., & Nagata, Y. (2013). Polarizable Site Charge Model at Liquid/Solid Interfaces for Describing Surface Polarity: Application to Structure and Molecular Dynamics of Water/Rutile TiO2(110) Interface. Journal of Chemical Theory and Computation, 9(2), 1193-1201. doi:10.1021/ct300998z.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000E-F375-B Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-3B49-1

Genre: Journal Article

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Creators:
Nakamura, H., Author
Ohto, Tatsuhiko¹, Author
Nagata, Yuki¹, Author

Affiliations:
1Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society, ou_1800285

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Language(s): eng - English

Dates: Date issued: 2013

Publication Status: Issued

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Identifiers: DOI: 10.1021/ct300998z

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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: 9 (2) Sequence Number: - Start / End Page: 1193 - 1201 Identifier: ISSN: 1549-9618
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283832