Publications by the researcher in collaboration with AMAIA SARACIBAR RUIZ DE OCENDA (15)

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. Capture and dissociation in the complex-forming CH(v = 0,1) + D2→ CHD + D, CD2 + H, CD + HD reactions and comparison with CH(v = 0,1) + H2

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 30, pp. 13638-13644

  3. Capture and dissociation in the complex-forming CH+H2→ CH2+H, CH+H2 reactions

    Physical Chemistry Chemical Physics, Vol. 13, Núm. 8, pp. 3421-3428

  4. 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

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

2008

  1. Grid computing in time-dependent quantum reactive dynamics

    Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

  2. Modeling the global potential energy surface of the N + N2 reaction from ab initio data

    Physical Chemistry Chemical Physics, Vol. 10, Núm. 18, pp. 2552-2558

2007

  1. A detailed trajectory study of the OH + CO → H + CO2 reaction

    Chemical Physics, Vol. 332, Núm. 2-3, pp. 162-175

  2. The shape of the potential energy surface and the thermal rate coefficients of the N + N2 reaction

    Journal of Physical Chemistry A, Vol. 111, Núm. 41, pp. 10362-10368

2006

  1. Calculated versus measured product distributions of the OH+D2 reaction

    Molecular Physics, Vol. 104, Núm. 5-7, pp. 839-846

  2. Theoretical study of the complex-forming CH + H 2 → CH 2 + H reaction

    Journal of Physical Chemistry A, Vol. 110, Núm. 16, pp. 5542-5548

2005

  1. A multiproperty analysis of the OH + H2(D2,HD) potential energy surface

    Chemical Physics, Vol. 308, Núm. 3 SPEC.ISS., pp. 201-210

2004

  1. A full dimensional quasiclassical trajectory study of Cl + CH4 rate coefficients

    Journal of Physical Chemistry A, Vol. 108, Núm. 41, pp. 8752-8758