Gerd Schiffel
PEVZ-ID
6 Publikationen
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1929197Schiffel, Gerd, and Manthe, Uwe. 2010. “A transition state view on reactive scattering: Initial state-selected reaction probabilities for the H+CH4 -> H2+CH3 reaction studied in full dimensionality”. JOURNAL OF CHEMICAL PHYSICS 133 (17): 174124.
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2010 | Dissertation | PUB-ID: 2436743Schiffel, Gerd. 2010. Anfangszustandsspezifische Beschreibung polyatomarer Reaktionsprozesse. Bielefeld.
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896981Schiffel, Gerd, Manthe, Uwe, and Nyman, Gunnar. 2010. “Full-Dimensional Quantum Reaction Rate Calculations for H+CH4 -> H2+CH3 on a Recent Potential Energy Surface”. JOURNAL OF PHYSICAL CHEMISTRY A 114 (36): 9617-9622.
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896991Schiffel, Gerd, and Manthe, Uwe. 2010. “Quantum dynamics of the H+CH4 -> H2+CH3 reaction in curvilinear coordinates: Full-dimensional and reduced dimensional calculations of reaction rates”. JOURNAL OF CHEMICAL PHYSICS 132 (8): 84103.
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896988Schiffel, Gerd, and Manthe, Uwe. 2010. “Communications: A rigorous transition state based approach to state-specific reaction dynamics: Full-dimensional calculations for H+CH4 -> H2+CH3”. JOURNAL OF CHEMICAL PHYSICS 132 (19): 191101.
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2010 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896985Schiffel, Gerd, and Manthe, Uwe. 2010. “On direct product based discrete variable representations for angular coordinates and the treatment of singular terms in the kinetic energy operator”. CHEMICAL PHYSICS 374 (1-3): 118-125.