Ernesto
García Para
Università di Perugia
Perugia, ItaliaPublications en collaboration avec des chercheurs de Università di Perugia (66)
2017
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Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions
Journal of Physical Chemistry A, Vol. 121, Núm. 27, pp. 5088-5099
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Comparisons and scaling rules between N+N2and N2+N2collision induced dissociation cross sections from atomistic studies
Plasma Sources Science and Technology, Vol. 26, Núm. 4
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Impact of the Long-Range Interaction on the Efficiency of the Li + ClH LiCl + H Reaction
Journal of Physical Chemistry A, Vol. 121, Núm. 34, pp. 6349-6356
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The role of the long-range tail of the potential in O2 + N2 collisional inelastic vibrational energy transfers
Physical Chemistry Chemical Physics, Vol. 19, Núm. 18, pp. 11206-11211
2016
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A Dynamics Investigation of the C + CH+ → C 2 + + H Reaction on an ab Initio Bond-Order-Like Potential
Journal of Physical Chemistry A, Vol. 120, Núm. 27, pp. 5125-5135
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Efficiency of Collisional O2 + N2 Vibrational Energy Exchange
Journal of Physical Chemistry B, Vol. 120, Núm. 8, pp. 1476-1485
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Enhanced Flexibility of the O2 + N2 Interaction and Its Effect on Collisional Vibrational Energy Exchange
Journal of Physical Chemistry A, Vol. 120, Núm. 27, pp. 5208-5219
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On the temperature dependence of the rate coefficient of formation of C2 + from C + CH+
Monthly Notices of the Royal Astronomical Society, Vol. 460, Núm. 3, pp. 2368-2375
2015
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Quasi-resonant vibrational energy transfer in N2 + N2 collisions: Effect of the long-range interaction
Chemical Physics Letters, Vol. 620, pp. 103-108
2014
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The effect of the intermolecular potential formulation on the state-selected energy exchange rate coefficients in N2-N2 collisions
Journal of Computational Chemistry, Vol. 35, Núm. 9, pp. 722-736
2012
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A classical versus quantum mechanics study of the OH + CO → H + CO 2 (J = 0) reaction
Theoretical Chemistry Accounts, Vol. 131, Núm. 8, pp. 1-11
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An innovative computational comparison of exact and centrifugal sudden quantum properties of the N + N 2 reaction
Physical Chemistry Chemical Physics, Vol. 14, Núm. 5, pp. 1589-1595
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The last mile of molecular reaction dynamics virtual experiments: The case of the OH(N = 1-10) + CO(j = 0-3) reaction
Faraday Discussions, Vol. 157, pp. 415-436
2011
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An extension of the molecular simulator GEMS to calculate the signal of crossed beam experiments
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
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On the anomaly of the quasiclassical product distributions of the OH + CO → H + CO2 reaction
Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 727-734
2010
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A study of the impact of long range interactions on the reactivity of N + N2 using the Grid Empowered Molecular Simulator GEMS
International Journal of Web and Grid Services, Vol. 6, Núm. 2, pp. 196-212
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Accurate quantum dynamics on Grid platforms: Some effects of long range interactions on the reactivity of N + N2
Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
2009
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A comparison of the quantum state-specific efficiency of N + N2 reaction computed on different potential energy surfaces
Physical Chemistry Chemical Physics, Vol. 11, Núm. 11, pp. 1752-1757
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A detailed comparison of centrifugal sudden and J-shift estimates of the reactive properties of the N + N2 reaction
Physical Chemistry Chemical Physics, Vol. 11, Núm. 48, pp. 11456-11462
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Effect of the total angular momentum on the dynamics of the H 2+H2 system
Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14312-14320