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Aquilanti, V., Mundim, K.C., Cavalli, S., De Fazio, D., Aguilar, A., Lucas, J.M. (2012) Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature. Chemical Physics, 398. 186-191 doi:10.1016/j.chemphys.2011.05.016

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Reference TypeJournal (article/letter/editorial)
TitleExact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature
JournalChemical Physics
AuthorsAquilanti, V.Author
Mundim, K.C.Author
Cavalli, S.Author
De Fazio, D.Author
Aguilar, A.Author
Lucas, J.M.Author
Year2012 (April)Volume398
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2011.05.016Search in ResearchGate
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Mindat Ref. ID5962907Long-form Identifiermindat:1:5:5962907:4
GUID0
Full ReferenceAquilanti, V., Mundim, K.C., Cavalli, S., De Fazio, D., Aguilar, A., Lucas, J.M. (2012) Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature. Chemical Physics, 398. 186-191 doi:10.1016/j.chemphys.2011.05.016
Plain TextAquilanti, V., Mundim, K.C., Cavalli, S., De Fazio, D., Aguilar, A., Lucas, J.M. (2012) Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+H2 reaction at low temperature. Chemical Physics, 398. 186-191 doi:10.1016/j.chemphys.2011.05.016
In(n.d.) Chemical Physics Vol. 398. Elsevier BV

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De Fazio, Dario, Aquilanti, Vincenzo, Cavalli, Simonetta, Aguilar, Antonio, Lucas, Josep M. (2008) Exact state-to-state quantum dynamics of the F+HD→HF(v′=2)+D reaction on model potential energy surfaces. The Journal of Chemical Physics, 129 (6). 64303pp. doi:10.1063/1.2964103
Aquilanti, Vincenzo, Cavalli, Simonetta, De Fazio, Dario, Volpi, Alessandro, Aguilar, Antonio, Lucas, Josep Maria (2005) Benchmark rate constants by the hyperquantization algorithm. The F+H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition state, and low temperature reactivity. Chemical Physics, 308. 237-253 doi:10.1016/j.chemphys.2004.03.027
Aquilanti, V, Capecchi, G, Cavalli, S, De Fazio, D, Palmieri, P, Puzzarini, C, Aguilar, A, Giménez, X, Lucas, J.M (2000) The He + H2+ reaction: a dynamical test on potential energy surfaces for a system exhibiting a pronounced resonance pattern. Chemical Physics Letters, 318. 619-628 doi:10.1016/s0009-2614(00)00067-1
Aldegunde, J., Alvariño, J.M., de Fazio, D., Cavalli, S., Grossi, G., Aquilanti, V. (2004) Quantum stereodynamics of the F+H2→HF+H reaction by the stereodirected S-matrix approach. Chemical Physics, 301. 251-259 doi:10.1016/j.chemphys.2004.02.002
Ramachandran, C.N., De Fazio, D., Cavalli, S., Tarantelli, F., Aquilanti, V. (2009) Revisiting the potential energy surface for the He+H2+→HeH++Chemical Physics Letters, 469. 26-30 doi:10.1016/j.cplett.2008.12.035
Aquilanti, V., Cavalli, S., De Fazio, D., Volpi, A., Aguilar, A., Giménez, X., Lucas, J. M. (2002) Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F + H2, including long-range and spin–orbit effects. Physical Chemistry Chemical Physics, 4 (3). 401-415 doi:10.1039/b107239k
De Fazio, Dario, Aquilanti, Vincenzo, Cavalli, Simonetta, Aguilar, Antonio, Lucas, Josep M. (2006) Exact quantum calculations of the kinetic isotope effect: Cross sections and rate constants for the F+HD reaction and role of tunneling. The Journal of Chemical Physics, 125 (13). 133109pp. doi:10.1063/1.2221695
De Fazio, Dario, Lucas, Josep M., Aquilanti, Vincenzo, Cavalli, Simonetta (2011) Exploring the accuracy level of new potential energy surfaces for the F + HD reactions: from exact quantum rate constants to the state-to-state reaction dynamics. Physical Chemistry Chemical Physics, 13 (18). 8571pp. doi:10.1039/c0cp02738c
Aquilanti, Vincenzo, Cavalli, Simonetta, De Fazio, Dario, Volpi, Alessandro, Aguilar, Antonio, Giménez, Xavier, Maria Lucas, Josep (2003) Reactivity enhanced by under-barrier tunneling and resonances: the F+H2→HF+H reaction. Chemical Physics Letters, 371. 504-509 doi:10.1016/s0009-2614(03)00311-7
PALMIERI, P., PUZZARINI, C., AQUILANTI, V., CAPECCHI, G., CAVALLI, S., DE FAZIO, D., AGUILAR, A., GIMÉNEZ, X., LUCAS, J. M. (2000) Ab initiodynamics of the He + H+2→ HeH++H reaction: a new potential energy surface and quantum mechanical cross-sections. Molecular Physics, 98. 1835-1849 doi:10.1080/00268970009483387
Sokolovski, D., Sen, S. K., Aquilanti, V., Cavalli, S., De Fazio, D. (2007) Interacting resonances in the F+H2 reaction revisited: Complex terms, Riemann surfaces, and angular distributions. The Journal of Chemical Physics, 126 (8). 84305pp. doi:10.1063/1.2432120
 
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