JESÚS
FERNÁNDEZ CASTILLO
Profesor titular de universidad
University of Oxford
Oxford, Reino UnidoPublicacions en col·laboració amb investigadors/es de University of Oxford (17)
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
2006
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Cumulative reaction probabilities: A comparison between quasiclassical and quantum mechanical results
Journal of Chemical Physics, Vol. 125, Núm. 14
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
2003
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Cross Section for the [Formula presented] Abstraction Reaction: Experiment and Theory
Physical Review Letters, Vol. 90, Núm. 9, pp. 4
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Cross section for the H + H2O abstraction reaction: Experiment and theory
Physical Review Letters, Vol. 90, Núm. 9
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The dynamics of the H+D2O→OD+HD reaction at 2.5 eV: Experiment and theory
Journal of Chemical Physics, Vol. 118, Núm. 3, pp. 1162-1174
2001
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Insertion and abstraction pathways in the reaction O(1D2) + H2 → OH + H
Physical Review Letters, Vol. 86, Núm. 9, pp. 1729-1732
2000
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ABC: A quantum reactive scattering program
Computer Physics Communications, Vol. 133, Núm. 1, pp. 128-135
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Dynamics of the O(1D)+HD reaction: A quasiclassical trajectory multisurface study
Journal of Chemical Physics, Vol. 113, Núm. 13, pp. 5339-5353
1999
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A theoretical study of the dynamics of vibrational wave packets in the 1g state of Xe2
Laser Chemistry, Vol. 19, Núm. 1-4, pp. 57-63
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Nearside-farside analysis of state-selected differential cross sections for reactive molecular collisions
Physical Chemistry Chemical Physics, Vol. 1, Núm. 6, pp. 1115-1124
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State-to-state three-atom reactive scattering using adiabatic rotation approximations
Physical Chemistry Chemical Physics, Vol. 1, Núm. 6, pp. 1165-1172
1998
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Quantum mechanical and quasiclassical simulations of molecular beam experiments for the F+H2→HF+H reaction on two ab initio potential energy surfaces
Journal of Chemical Physics, Vol. 109, Núm. 17, pp. 7224-7237
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Quantum mechanical angular distributions for the F + HD reaction
Faraday Discussions, Vol. 110, pp. 119-138
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Using quantum rotational polarization moments to describe the stereodynamics of the H+D2(v=0,j=0)→HD(v′,j′) + D reaction
Journal of Chemical Physics, Vol. 108, Núm. 8, pp. 3142-3153
1997
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Ab initio simulation of molecular beam experiments for the F + H2 → HF + H reaction
Journal of Physical Chemistry A, Vol. 101, Núm. 36, pp. 6403-6414
1996
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Quantum mechanical angular distributions for the F+H2 reaction
Journal of Chemical Physics, Vol. 104, Núm. 17, pp. 6531-6546