JESÚS
FERNÁNDEZ CASTILLO
Profesor titular de universidad
FRANCISCO JAVIER
AOIZ MOLERES
Catedrático de universidad
Publications by the researcher in collaboration with FRANCISCO JAVIER AOIZ MOLERES (46)
2015
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Accurate Time-Dependent Wave Packet Calculations for the O+ + H2 → OH+ + H Ion-Molecule Reaction
Journal of Physical Chemistry A, Vol. 119, Núm. 50, pp. 11951-11962
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The Cl + O<inf>3</inf> reaction: A detailed QCT simulation of molecular beam experiments
Physical Chemistry Chemical Physics, Vol. 17, Núm. 38, pp. 25471-25482
2014
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A ring polymer molecular dynamics study of the Cl + O3 reaction
Physical Chemistry Chemical Physics, Vol. 16, Núm. 7, pp. 2920-2927
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OH+in astrophysical media: State-to-state formation rates, einstein coefficients and inelastic collision rates with He
Astrophysical Journal, Vol. 794, Núm. 1
2013
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A ring polymer molecular dynamics study of the isotopologues of the H + H2 reaction
Physical Chemistry Chemical Physics, Vol. 15, Núm. 10, pp. 3655-3665
2012
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Accurate time-dependent wave packet study of the H++LiH reaction at early universe conditions
Astrophysical Journal, Vol. 759, Núm. 1
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Accurate time-dependent wave packet study of the Li + H 2 + reaction and its isotopic variants
Journal of Physical Chemistry A, Vol. 116, Núm. 1, pp. 132-138
2011
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Theoretical study of the dynamics of Cl + O3 reaction I. Ab initio potential energy surface and quasiclassical trajectory results
Physical Chemistry Chemical Physics, Vol. 13, Núm. 18, pp. 8537-8548
2009
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Quantum mechanical wave packet and quasiclassical trajectory calculations for the Li + H2+ reaction
Journal of Physical Chemistry A, Vol. 113, Núm. 52, pp. 14657-14663
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Vibrationally inelastic collisions of H+ D2: A comparison of quantum mechanical, quasiclassical, and experimental results
Journal of Chemical Physics, Vol. 130, Núm. 3
2008
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Real wave packet and quasiclassical trajectory studies of the H+ + LiH reaction
Physical Chemistry Chemical Physics, Vol. 10, Núm. 6, pp. 821-827
2006
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Cumulative reaction probabilities: A comparison between quasiclassical and quantum mechanical results
Journal of Chemical Physics, Vol. 125, Núm. 14
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Quasiclassical trajectory study of the Cl+CH4 reaction dynamics on a quadratic configuration interaction with single and double excitation interpolated potential energy surface
Journal of Chemical Physics, Vol. 125, Núm. 12
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Quasiclassical trajectory study of the collision-induced dissociation dynamics of Ar + CH3SH+ using an Ab initio interpolated potential energy surface
Journal of Physical Chemistry A, Vol. 110, Núm. 4, pp. 1225-1231
2005
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Dynamics of the O(1D)+D2 reaction: A comparison between crossed molecular beam experiments and quasiclassical trajectory calculations on the lowest three potential energy surfaces
Molecular Physics, Vol. 103, Núm. 13, pp. 1703-1714
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On the conformational memory in the photodissociation of formic acid
Journal of Physical Chemistry A, Vol. 109, Núm. 12, pp. 2836-2839
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Quantum-instanton evaluation of the kinetic isotope effects
Journal of Chemical Physics, Vol. 123, Núm. 5
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Quasiclassical trajectory study of the F + CH4 reaction dynamics on a dual-level interpolated potential energy surface
Journal of Physical Chemistry A, Vol. 109, Núm. 38, pp. 8459-8470
2004
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Cross-sections for the H + H
2
O → OH + H
2
and H + D
2
O → OD + HD abstraction reactions
Physical Chemistry Chemical Physics, Vol. 6, Núm. 21, pp. 4991-4999
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Collision energy dependence of the HD(v′ = 2) product rotational distribution of the H+D 2 reaction in the range 1.30-1.89 eV
Journal of Chemical Physics, Vol. 120, Núm. 7, pp. 3255-3264