QUÍMICA FÍSICA
Departamento
Universidad del País Vasco/Euskal Herriko Unibertsitatea
Lejona, EspañaPublicaciones en colaboración con investigadores/as de Universidad del País Vasco/Euskal Herriko Unibertsitatea (39)
2023
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Li + HF and Li + HCl Reactions Revisited I: QCT Calculations and Simulation of Experimental Results
The journal of physical chemistry. A, Vol. 127, Núm. 33, pp. 6924-6944
2019
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How reactant polarization can be used to change the effect of interference on reactive collisions
Physical Chemistry Chemical Physics, Vol. 21, Núm. 26, pp. 14012-14022
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Kinetics of the H + CH2 → CH + H2 Reaction at Low Temperature
Journal of Physical Chemistry A, Vol. 123, Núm. 34, pp. 7408-7419
2018
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Λ-Doublet Propensities for Reactions on Competing A ′ and A ″ Potential Energy Surfaces: O(3 P) + N2 and O(3 P) + HCl
Journal of Physical Chemistry A, Vol. 122, Núm. 10, pp. 2739-2750
2017
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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
2013
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Understanding the reaction between muonium atoms and hydrogen molecules: Zero point energy, tunnelling, and vibrational adiabaticity
Molecular Physics, Vol. 111, Núm. 21, pp. 3169-3181
2012
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Dynamics of the reactions of muonium and deuterium atoms with vibrationally excited hydrogen molecules: Tunneling and vibrational adiabaticity
Physical Chemistry Chemical Physics, Vol. 14, Núm. 42, pp. 14596-14604
2011
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Can quasiclassical trajectory calculations reproduce the extreme kinetic isotope effect observed in the muonic isotopologues of the H + H2 reaction?
Journal of Chemical Physics, Vol. 135, Núm. 3
2008
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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
2003
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A detailed study of the dynamics of the O(1D)+HCl→OH+Cl, ClO+H reactions
Journal of Chemical Physics, Vol. 119, Núm. 15, pp. 7871-7886
2001
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Progress in validating the potential energy surface of the OH+H2 reaction: Product vibrational distributions
Chemical Physics Letters, Vol. 345, Núm. 3-4, pp. 219-227
2000
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Quasiclassical trajectory simulation of the O(1D) + HCl → OH + Cl, ClO + H reactions on an improved potential energy surface
Physical Chemistry Chemical Physics, Vol. 2, Núm. 4, pp. 589-597
1998
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Stereodynamics from the stereodirected representation of the exact quantum S matrix: The Li + HF → LiF + H reaction
Journal of Physical Chemistry A, Vol. 102, Núm. 47, pp. 9638-9644
1997
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Ab initio calculations and dynamical tests of a potential energy surface for the Na+FH reaction
Journal of Chemical Physics, Vol. 106, Núm. 24, pp. 10222-10229
1991
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Kinetic study of the oxidation of L-threonine by MnO4- ions
Reaction Kinetics & Catalysis Letters, Vol. 44, Núm. 2, pp. 293-301
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Scalar and vector properties of the Mg + HF reaction on a bond order surface
Journal of Physical Chemistry, Vol. 95, Núm. 21, pp. 8379-8384
1990
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A modelling of accurate reduced-dimensionality quantum probabilities for H(D,T)+Cl2 reactions
Il Nuovo Cimento D, Vol. 12, Núm. 11, pp. 1539-1551
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Calculated vs measured scattering and kinetic data for the Li+HCl reaction
The Journal of Chemical Physics, Vol. 93, Núm. 12, pp. 8764-8770
1989
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Equations of state, collisional energy transfer, and chemical equilibrium in gases
Journal of Chemical Education, Vol. 66, Núm. 2, pp. 139-141
1987
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General discussion
Faraday Discussions of the Chemical Society