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Teixidor, Marc Moix, Huarte-Larrañaga, Fermin (2012) Methane dissociation on Ni(111): Reaction probabilities using direct and initial state selected approaches. Chemical Physics, 399. 264-271 doi:10.1016/j.chemphys.2011.08.016

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Reference TypeJournal (article/letter/editorial)
TitleMethane dissociation on Ni(111): Reaction probabilities using direct and initial state selected approaches
JournalChemical Physics
AuthorsTeixidor, Marc MoixAuthor
Huarte-Larrañaga, FerminAuthor
Year2012 (May)Volume399
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.08.016Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5962963Long-form Identifiermindat:1:5:5962963:0
GUID0
Full ReferenceTeixidor, Marc Moix, Huarte-Larrañaga, Fermin (2012) Methane dissociation on Ni(111): Reaction probabilities using direct and initial state selected approaches. Chemical Physics, 399. 264-271 doi:10.1016/j.chemphys.2011.08.016
Plain TextTeixidor, Marc Moix, Huarte-Larrañaga, Fermin (2012) Methane dissociation on Ni(111): Reaction probabilities using direct and initial state selected approaches. Chemical Physics, 399. 264-271 doi:10.1016/j.chemphys.2011.08.016
In(n.d.) Chemical Physics Vol. 399. Elsevier BV

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Moix, Marc, Huarte-Larrañaga, Fermín (2008) Direct quantum mechanical calculation of the F+H2→HF+H thermal rate constant. Chemical Physics, 351. 65-71 doi:10.1016/j.chemphys.2008.03.030
Huarte-Larrañaga, Fermín, Manthe, Uwe (2005) Calculating initial-state-selected reaction probabilities from thermal flux eigenstates: A transition-state-based approach. The Journal of Chemical Physics, 123 (20). 204114pp. doi:10.1063/1.2132273
Welsch, Ralph, Huarte-Larrañaga, Fermín, Manthe, Uwe (2012) State-to-state reaction probabilities within the quantum transition state framework. The Journal of Chemical Physics, 136 (6). 64117pp. doi:10.1063/1.3684631
Ellerbrock, Roman, Manthe, Uwe (2017) H+CH4→ H2+ CH3 initial state-selected reaction probabilities on different potential energy surfaces. Chemical Physics, 482. 106-112 doi:10.1016/j.chemphys.2016.08.032
Welsch, Ralph, Huarte-Larrañaga, Fermín, Manthe, Uwe (2013) Erratum: “State-to-state reaction probabilities within the quantum transition state framework” [J. Chem. Phys. 136, 064117 (2012)]. The Journal of Chemical Physics, 139 (19). 199901pp. doi:10.1063/1.4834037
Mondelo-Martell, Manel, Huarte-Larrañaga, Fermín (2015) Six dimensional propagation of the H2 molecule confined in a Single-walled Carbon Nanotube. Chemical Physics, 462. 41-50 doi:10.1016/j.chemphys.2015.07.029
Faginas, Noelia, Huarte-Larrañaga, Fermín, Laganà, Antonio (2008) Full dimensional quantum versus semiclassical reactivity for the bent transition state reaction N+N2. Chemical Physics Letters, 464. 249-255 doi:10.1016/j.cplett.2008.09.008
Manthe, Uwe (1995) Calculation of initial state-selected reaction probabilities by a minimal number of wavepackets. Chemical Physics Letters, 241. 497-501 doi:10.1016/0009-2614(95)00689-2
Bowman, Joel M., Wang, Dunyou, Huang, Xinchuan, Huarte-Larrañaga, Fermin, Manthe, U. (2001) The importance of an accurate CH4 vibrational partition function in full dimensionality calculations of the H+CH4→H2+CH3 reaction. The Journal of Chemical Physics, 114 (21). 9683-9684 doi:10.1063/1.1370944
Schiffel, Gerd, 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. The Journal of Chemical Physics, 133 (17). 174124pp. doi:10.1063/1.3489409
Wang, Dunyou, Huo, Winifred M., Dateo, Christopher E., Schwenke, David W., Stallcop, James R. (2004) Quantum study of the N+N2 exchange reaction: State-to-state reaction probabilities, initial state selected probabilities, Feshbach resonances, and product distributions. The Journal of Chemical Physics, 120 (13). 6041-6050 doi:10.1063/1.1650834
 
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