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Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media
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SYSNO 0353649 Title Nonadiabatic Excited-State Dynamics with Hybrid ab Initio Quantum-Mechanical/Molecular-Mechanical Methods: Solvation of the Pentadieniminium Cation in Apolar Media Author(s) Ruckenbauer, M. (AT)
Barbatti, M. (AT)
Müller, T. (DE)
Lischka, Hans (UOCHB-X) [610/61]Source Title Journal of Physical Chemistry A. Roč. 114, č. 25 (2010), s. 6757-6765. - : American Chemical Society Document Type Článek v odborném periodiku CEZ AV0Z40550506 - UOCHB-X (2005-2011) Language eng Country US Keywords Nonadiabatic excited-state dynamics * hybrid methods * multireference methods * penta-2,4-dien-1-iminium cation (PSB3) * 4-methyl-penta-2,4-dien-1- iminium cation (MePSB3) Permanent Link http://hdl.handle.net/11104/0006231
Number of the records: 1