Abstract
In this paper a preliminary study of the N + N2 reaction making use of quantum time-dependent calculations in Jacobi coordinates is presented.
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References
Giordano, D., Maraffa, L.: In: Proceedings of the AGARD-CP-514 Symposium in Theoretical and Experimental Methods in Hypersonic Flows, vol. 26, p. 1 (1992)
Capitelli, M.: Non-equilibrium vibrational kinetics. Springer, Berlin (1986); Capitelli, M. and Barsdley, J.N.: Non-equilibrium Processes in partially ionized gas. Plenum, New York (1990); Armenise, I., Capitelli, M., Garcia, E., Gorse, C., Laganà, A., Longo, S.: Deactivation dynamics of vibrationally excited nitrogen molecules by nitrogen atoms. Effects on non-equilibrium vibrational distribution and dissociation rates of nitrogen under electrical discharges. Chem. Phys. Letters 200, 597 (1992)
Esposito, F., Capitelli, M.: Quasiclassical molecular dynamic calculations of vibrationally and rotationally state selected dissociation cross-sections N + N2(v,j)→3N. Chem. Phys. Letters 302, 49–54 (1999); Esposito, F., Capitelli, M., Gorse, C.: Quasiclassical dynamics and vibrational kinetics of N + N2(v) system. Chem. Phys. 257, 193–202 (2000)
Balucani, N., Alagia, M., Cartechini, L., Casavecchia, P., Volpi, G.G., Sato, K., Takayanagi, T., Kurosaki, Y.: J. Am. Chem. Soc. 122 (2000); Balucani, N., Cartechini, L., Alagia, M., Casavecchia, P., Volpi, G.G.: J. Phys. Chem. A 104, 5655, (2000)
Gervasi, O., Laganà, A., Lobbiani, M.: Towards a GRID based portal for an a priori molecular simulation of chemical reactivity. In: Sloot, P.M.A., Tan, C.J.K., Dongarra, J., Hoekstra, A.G. (eds.) ICCS-ComputSci 2002. LNCS, vol. 2331, p. 956. Springer, Heidelberg (2002)
Laganà, A.: Piattaforme abilitanti per griglie computazionali ad elevate prestazioni orientate a organizzazioni virtuali saclabili. First deliverable of the workpackage 13, Firb project Prot. RBNE01JNFP
Laganà, A., Garcia, E.: Temperature dependence of N + N2 rate coefficients. J. Phys. Chem. 98, 502–507 (1994)
Laganà, A., Ochoa de Aspuru, G., Garcia, E.: Temperature dependence of quasiclassical and quantum rate coefficients for N + N2. Technical report AIAA-94- 1986, (1994) 1-6; Laganà, A., Ochoa de Aspuru, G., Garcia, E.: Quasiclassical and quantum rate coefficients for the N + N2 reaction, University of Perugia (1996)
Laganà, A.: Non equilibrium processes in partially ionized gases, p. 105. Plenum, New York (1990); Capitelli, M., Barsdley, T.(eds.)
Wang, D., Stallcop, J.R., Huo, W.M., Dateo, C.E., Schwenke, D.W., Partridge, H.: Quantal study of the exchange reaction for N + N2 using an ab initio potential energy surface. J. Chem. Phys. 118, 2186–2189 (2003)
Skouteris, D., Laganà, A., Capecchi, G., Werner, H.J.: Int. J. Quant. Chem. 562, 96 (2004)
Balint-Kurti, G.G., Gray, S.K.: Quantum dynamics with real wavepackets, including application to three-dimensional (J=0) D + H2 reactive scattering. J. Chem. Phys. 108, 950–962 (1998)
Balint-Kurti, G.G.: Time dependent quantum approaches to chemical reactivity. In: Laganà, A., Riganelli, A. (eds.). Lecture Notes in Chemistry, vol. 75, pp. 74–87. Springer, Heidelberg (2000)
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Laganà, A., Pacifici, L., Skouteris, D. (2004). A Time Dependent Study of the Nitrogen Atom Nitrogen Molecule Reaction. In: Laganá, A., Gavrilova, M.L., Kumar, V., Mun, Y., Tan, C.J.K., Gervasi, O. (eds) Computational Science and Its Applications – ICCSA 2004. ICCSA 2004. Lecture Notes in Computer Science, vol 3044. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-24709-8_38
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DOI: https://doi.org/10.1007/978-3-540-24709-8_38
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-22056-5
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