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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

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Reference TypeJournal (article/letter/editorial)
TitleDirect quantum mechanical calculation of the F+H2→HF+H thermal rate constant
JournalChemical Physics
AuthorsMoix, MarcAuthor
Huarte-Larrañaga, FermínAuthor
Year2008 (July)Volume351
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.03.030Search in ResearchGate
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Mindat Ref. ID5961711Long-form Identifiermindat:1:5:5961711:2
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Full ReferenceMoix, 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
Plain TextMoix, 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
In(n.d.) Chemical Physics Vol. 351. Elsevier BV

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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
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
Huarte-Larrañaga, Fermín, Manthe, Uwe (2001) Quantum Dynamics of the CH4+ H → CH3+ H2Reaction:  Full-Dimensional and Reduced Dimensionality Rate Constant Calculations†. The Journal of Physical Chemistry A, 105 (12). 2522-2529 doi:10.1021/jp003579w
Huarte-Larrañaga, Fermín, Manthe, Uwe (2007) Thermal Rate Constants for Polyatomic Reactions: First Principles Quantum Theory. Zeitschrift für Physikalische Chemie, 221 (2). 171-213 doi:10.1524/zpch.2007.221.2.171
Mondelo-Martell, Manel, Huarte-Larrañaga, Fermín (2021) Competition of quantum effects in H2/D2 sieving in narrow single-wall carbon nanotubes. Molecular Physics, 119 (14) doi:10.1080/00268976.2021.1942277
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
Huarte-Larrañaga, Fermín, Gime´nez, Xavier, Lucas, Josep M., Aguilar, Antonio, Launay, Jean-Michel (1999) Exact quantum 3D cross sections for the Ne+H2+→NeH++H reaction by the hyperspherical method. Comparison with approximate quantum mechanical and classical results. Physical Chemistry Chemical Physics, 1 (6). 1125-1132 doi:10.1039/a808552h
Mondelo-Martell, Manel, Huarte-Larrañaga, Fermín, Manthe, Uwe (2017) Quantum dynamics of H2 in a carbon nanotube: Separation of time scales and resonance enhanced tunneling. The Journal of Chemical Physics, 147 (8). 84103pp. doi:10.1063/1.4995550
Huarte-Larrañaga, Fermı́n, Manthe, Uwe (2002) Vibrational excitation in the transition state: The CH4+H→CH3+H2 reaction rate constant in an extended temperature interval. The Journal of Chemical Physics, 116 (7). 2863-2869 doi:10.1063/1.1436307
Mondelo-Martell, Manel, Huarte-Larrañaga, Fermín (2015) Quantum dynamics study of the H2 molecule confined in Single-Walled Carbon Nanotubes. Journal of Physics: Conference Series, 635. 32057pp. doi:10.1088/1742-6596/635/3/032057
Huarte-Larrañaga, Fermı́n, Manthe, Uwe (2003) Quantum mechanical calculation of the OH+HCl→H2O+Cl reaction rate: Full-dimensional accurate, centrifugal sudden, andJ-shifting results. The Journal of Chemical Physics, 118 (18). 8261-8267 doi:10.1063/1.1565108
 
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