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Espinosa-Garcia, J., Corchado, J.C. (2015) On the energy-dependence of the excitation functions of the H+CH4 and H+CD4 reactions. Computational and Theoretical Chemistry, 1069. 1-3 doi:10.1016/j.comptc.2015.06.034

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Reference TypeJournal (article/letter/editorial)
TitleOn the energy-dependence of the excitation functions of the H+CH4 and H+CD4 reactions
JournalComputational and Theoretical Chemistry
AuthorsEspinosa-Garcia, J.Author
Corchado, J.C.Author
Year2015 (October)Volume1069
PublisherElsevier BV
DOIdoi:10.1016/j.comptc.2015.06.034Search in ResearchGate
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Mindat Ref. ID9529456Long-form Identifiermindat:1:5:9529456:6
GUID0
Full ReferenceEspinosa-Garcia, J., Corchado, J.C. (2015) On the energy-dependence of the excitation functions of the H+CH4 and H+CD4 reactions. Computational and Theoretical Chemistry, 1069. 1-3 doi:10.1016/j.comptc.2015.06.034
Plain TextEspinosa-Garcia, J., Corchado, J.C. (2015) On the energy-dependence of the excitation functions of the H+CH4 and H+CD4 reactions. Computational and Theoretical Chemistry, 1069. 1-3 doi:10.1016/j.comptc.2015.06.034
In(n.d.) Computational and Theoretical Chemistry Vol. 1069. Elsevier BV

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Espinosa-Garcia, Joaquin, Corchado, Jose C. (2013) The abstraction reaction of H and C–H stretch excited CHD3: A QCT study on an ab initio based potential energy surface. Computational and Theoretical Chemistry, 1006. 123-126 doi:10.1016/j.comptc.2012.11.023
García, Ernesto, Corchado, José Carlos, Espinosa-García, Joaquin (2012) A detailed product distribution analysis of some potential energy surfaces describing the OH+CO→H+CO2 reaction. Computational and Theoretical Chemistry, 990. 47-52 doi:10.1016/j.comptc.2011.09.039
Gonzalez-Lavado, Eloisa, Corchado, Jose C., Suleimanov, Yury V., Green, William H., Espinosa-Garcia, Joaquin (2014) Theoretical Kinetics Study of the O(3P) + CH4/CD4 Hydrogen Abstraction Reaction: The Role of Anharmonicity, Recrossing Effects, and Quantum Mechanical Tunneling. The Journal of Physical Chemistry A, 118 (18). 3243-3252 doi:10.1021/jp5028965
Espinosa-Garcia, Joaquin, Corchado, Jose C. (2016) Product Translational and Vibrational Distributions for the OH/OD + CH4/CD4 Reactions from Quasiclassical Trajectory Calculations. Comparison with Experiment. The Journal of Physical Chemistry B, 120 (8). 1446-1453 doi:10.1021/acs.jpcb.5b04290
Rangel, C., Sansón, J., Corchado, J. C., Espinosa-Garcia, J., Nyman, G. (2006) Product Angular Distribution for the H + CD4→ HD + CD3Reaction. The Journal of Physical Chemistry A, 110 (37). 10715-10719 doi:10.1021/jp063298+
Espinosa-Garcia, J., Corchado, J. C. (2010) Analytical Potential Energy Surface and Kinetics of the NH3+ H → NH2+ H2Hydrogen Abstraction and the Ammonia Inversion Reactions. The Journal of Physical Chemistry A, 114 (12). 4455-4463 doi:10.1021/jp1001513
Bonnet, Laurent, Corchado, José Carlos, Espinosa-Garcia, Joaquin (2016) Pair-correlated speed distributions for the OH+CH4/CD4 reactions: Further remarks on their classical trajectory calculations in a quantum spirit. Comptes Rendus Chimie, 19 (5). 571-578 doi:10.1016/j.crci.2016.03.010
Espinosa-Garcia, J., Corchado, J.C. (1994) Theoretical values of the enthalpies of formation of the SH and HSO radicals. Chemical Physics Letters, 218. 128-132 doi:10.1016/0009-2614(93)e1448-p
Espinosa-Garcia, J., Corchado, J.C., Bonnet, L. (2015) Quasi-classical trajectory study of the water vibrational distribution for the polyatomic OH/OD+NH3 reactions: Comparison with experiment. Chemical Physics Letters, 620. 56-60 doi:10.1016/j.cplett.2014.12.028
Espinosa-Garcia, J., Corchado, J. C. (2017) QCT dynamics study of OH/OD + GeH4 reactions. The problem of water bending excitation. Physical Chemistry Chemical Physics, 19 (2). 1580-1589 doi:10.1039/c6cp08118e
Espinosa-Garcia, J., Ojalvo, E.A., Corchado, J.C. (1994) Theoretical rate constants: on the error cancellation using conventional transition-state theory and Wigner's tunnelling correction. Journal of Molecular Structure: THEOCHEM, 303. 131-139 doi:10.1016/0166-1280(94)80179-7
 
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