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

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Dodia,  Mayank
Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society;

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Imoto,  Sho
Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society;

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Nagata,  Yuki
Dept. Bonn: Molecular Spectroscopy, MPI for Polymer Research, Max Planck Society;

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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.


Cite as: https://hdl.handle.net/21.11116/0000-0002-DF64-3
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