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Hydrogen Forms in Water by Proton Transfer to a Distorted Electron
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SYSNO ASEP 0342495 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Hydrogen Forms in Water by Proton Transfer to a Distorted Electron Author(s) Maršálek, Ondřej (UOCHB-X) RID, ORCID
Frigato, T. (DE)
Vande Vondele, J. (CH)
Bradforth, S. E. (US)
Schmidt, B. (DE)
Schütte, Ch. (DE)
Jungwirth, Pavel (UOCHB-X) RID, ORCIDNumber of authors 7 Source Title Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
Roč. 114, č. 2 (2010), s. 915-920Number of pages 6 s. Language eng - English Country US - United States Keywords ab initio molecular dynamics ; solvated electron ; quenching reaction 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 000273405000030 DOI 10.1021/jp908986z Annotation Ab initio molecular dynamics simulations allow us to unravel with molecular resolution the ultrafast reaction mechanism by which the electron and proton react in water. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2011
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