Publications (14) Publications de Irene Baños Arribas

2016

  1. Unravelling Protein–DNA Interactions at Molecular Level: A DFT and NCI Study

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 2, pp. 523-534

2004

  1. Ab initio potential energy surface, variational transition state theory, and quasiclassical trajectory studies of the F+CH4?+HF+CH 3 reaction

    Journal of Chemical Physics, Vol. 120, Núm. 11, pp. 5181-5191

2002

  1. Ab initio, kinetics, and dynamics study of Cl+CH 4?HCl+CH 3

    Journal of Chemical Physics, Vol. 117, Núm. 12, pp. 5730-5741

2000

  1. Influence of the collision energy on the O(1D) + RH --> OH(X2Pi) + R (RH=CH4, C2H6, C3H8) Reaction Dynamics. A laser Induced Fluorescence and Quasiclassical Trajectory Study

    Journal of Chemical Physics, Vol. 104, Núm. 3, pp. 521-529

  2. Quasiclassical trajectory study of the H+HCN ® H2+CN reaction

    Journal of Chemical Physics, Vol. 113, Núm. 15, pp. 6253-6263

1999

  1. Ab initio ground potential energy surface and QCT study of the O(1D)+CH4 ® H+CH3 reaction dynamics

    Journal of Chemical Physics, Vol. 111, Núm. 19, pp. 8913-8924

1997

  1. Colisional energy effects on the dynamics of the O(1D) + N2O --> NO + NO

    Faraday discussions Online, Vol. 108, pp. 449-453

  2. On the translational energy effect on the OH internal energy distribution arising from the reaction of O(1D) with alkanes

    Faraday discussions Online, Vol. 108, pp. 453-457

1992

  1. Thermodynamics of the partially miscible systems (diacetone alcohol + n-Hexane) between 288.15K and 318.15K

    Journal of Chemical Thermodynamics, Vol. 24, Núm. 12, pp. 1237-1242

  2. Vapour pressures of butan 1-ol with n - Hexadecane between 293.18 K and 323.18 K. Description of butan 1-ol + n - Alkane systems by ERAS MODEL

    Fluid Phase Equilibria, Vol. 81, Núm. C, pp. 165-174

1990

  1. Excess molar enthalpies of mixtures containing 1, 3 - Dichloropropane

    Journal of Chemical Thermodynamics, Vol. 22, Núm. 1, pp. 67-72

  2. Excess molar volumes of mixtures containing 1, 2 - Dichloropropane or 1, 3 - Dichloropropane

    Journal of Chemical Thermodynamics, Vol. 22, Núm. 5, pp. 431-437

1989

  1. Excess molar enthalpies of mixtures containing 1, 2 - Dichloropropane

    Journal of Chemical Thermodynamics, Vol. 21, Núm. 7, pp. 709-714

1983

  1. Conformational equilibrium and calorimetric behaviour of systems containing 1,2 - Dichloroethane

    Berichte der Bunsengesellschaft fuÉr Physikalische Chemie, Vol. 87, Núm. 10, pp. 866-871