Università di Perugia-ko ikertzaileekin lankidetzan egindako argitalpenak (66)

2017

  1. 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

  2. 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

  3. 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

  4. 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

  1. 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

  2. Efficiency of Collisional O2 + N2 Vibrational Energy Exchange

    Journal of Physical Chemistry B, Vol. 120, Núm. 8, pp. 1476-1485

  3. 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

  4. 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

  1. Quasi-resonant vibrational energy transfer in N2 + N2 collisions: Effect of the long-range interaction

    Chemical Physics Letters, Vol. 620, pp. 103-108

2014

  1. 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

  1. 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

  2. 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

  3. 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

  1. 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)

  2. 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

  1. 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

  2. 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

  1. 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

  2. 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

  3. 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