Publicacions (101) Publicacions de IGNACIO JOSE NEBOT GIL

2015

  1. Diagonalization of large matrices: A new parallel algorithm

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 2, pp. 472-483

2013

  1. Equipos de trabajo para el desarrollo del Espacio Europeo de Educación Superior

    UNIVEST 2013: IV Congreso Internacional Estrategias hacia el aprendizaje colaborativo

2012

  1. Caminar para observar, observar para conocer, conocer para comprender

    Mètode: Revista de difusión de la Investigación, Núm. 75, pp. 103

  2. Caminar per a observar, observar per a conèixer, conèixer per a comprendre

    Mètode: Revista de difusió de la investigació, Núm. 75, pp. 103

2008

  1. A G2(MP2) theoretical study of substituent effects on H3 BNHnCl3-n (n = 3-0) donor-acceptor complexes

    Central European Journal of Chemistry, Vol. 6, Núm. 3, pp. 400-403

2007

  1. Methyl vinyl ketone + OH and methacrolein + OH oxidation reactions: A master equation analysis of the pressure- and temperature-dependent rate constants

    Chemistry - A European Journal, Vol. 13, Núm. 4, pp. 1180-1190

2006

  1. Is the CH2OH + O2 → CH2 = O + HO 2 reaction barrierless? An ab initio study on the reaction mechanism

    Theoretical Chemistry Accounts, Vol. 116, Núm. 4-5, pp. 637-640

2005

  1. Enthalpies of formation of isoprene's major oxidation byproducts

    Chemical Physics Letters, Vol. 409, Núm. 4-6, pp. 255-259

  2. Fate of several hydroxyalkyl isoprene radicals: Formation of hydroxycarbonyl compounds

    Chemical Physics Letters, Vol. 406, Núm. 4-6, pp. 404-408

  3. Pressure dependence in the methyl vinyl ketone + OH and methacrolein + OH oxidation reactions: An electronic structure study

    ChemPhysChem, Vol. 6, Núm. 8, pp. 1567-1573

  4. Theoretical study of the OH addition to the endocyclic and exocyclic double bonds of the d-limonene

    Chemical Physics Letters, Vol. 409, Núm. 1-3, pp. 23-28

  5. Theoretical study of the formation reaction of the methyl vinyl ketone: A conformational approach

    International Journal of Quantum Chemistry, Vol. 105, Núm. 5, pp. 518-526

2004

  1. Ab initio molecular orbital study of the substituent effect on ammonia and phosphine-borane complexes

    Journal of Molecular Structure: THEOCHEM

  2. An ab initio study on the mechanism of the F + O3 → FO + O2 reaction: Comparative reactivity study along the isoelectronic NH2, OH and F radicals series

    Chemical Physics Letters, Vol. 391, Núm. 1-3, pp. 195-199

  3. Rate constants for the hydrogen abstractions in the OH-initiated oxidation of glycolaldehyde. A variational transition-state theory calculation

    Journal of Physical Chemistry A, Vol. 108, Núm. 23, pp. 5117-5125

  4. Theoretical study of the OH addition to the β-pinene

    Chemical Physics Letters, Vol. 391, Núm. 1-3, pp. 152-156

2003

  1. A theoretical ab initio study on the H2NO + O3 reaction

    Journal of Computational Chemistry, Vol. 24, Núm. 11, pp. 1321-1328

  2. Ab initio study of the mechanism of the atmospheric reaction: NO2 + O3 → NO3 + O2

    Journal of Computational Chemistry, Vol. 24, Núm. 13, pp. 1657-1663

  3. Ab initio study on the mechanism of the HCO + O2 → HO2 + CO reaction

    Chemical Physics Letters, Vol. 370, Núm. 3-4, pp. 313-318

  4. Ab initio study on the mechanism of the atmospheric reaction OH + O 3 → HO2 + O2

    ChemPhysChem, Vol. 4, Núm. 8, pp. 843-847