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Energetic Origin of Proton Affinity to the Air/Water Interface
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SYSNO ASEP 0359736 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Energetic Origin of Proton Affinity to the Air/Water Interface Author(s) Takahashi, H. (JP)
Maruyama, K. (JP)
Karino, Y. (JP)
Morita, A. (JP)
Nakano, M. (JP)
Jungwirth, Pavel (UOCHB-X) RID, ORCID
Matubayasi, N. (JP)Number of authors 7 Source Title Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
Roč. 115, č. 16 (2011), s. 4745-4751Number of pages 7 s. Language eng - English Country US - United States Keywords hydronium ; water surface ; molecular dynamics Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/08/0114 GA ČR - Czech Science Foundation (CSF) LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000289697300022 DOI 10.1021/jp2015676 Annotation To investigate the mechanism responsible for the surface propensity of hydronium, we performed a series of novel quantum chemical simulations combined with the theory of solutions. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2012
Number of the records: 1