Centro de Nanociencia y Tecnologías Sostenibles (CNATS)
Centre d'investigació
Jesús
Fernández Castillo
Investigador en el període 2001-2001
Publicacions en què col·labora amb Jesús Fernández Castillo (8)
2015
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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
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
2002
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A quasiclassical trajectory and quantum mechanical study of the O(1D) + D2 reaction dynamics. Comparison with high resolution molecular beam experiments
Physical Chemistry Chemical Physics, Vol. 4, Núm. 18, pp. 4379-4385
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The O(1D)+H2 reaction at 56 meV collision energy: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results
Journal of Chemical Physics, Vol. 116, Núm. 24, pp. 10692-10703
2001
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The stereodynamics of the O(1D) + HD reaction on the ground 1 1A′ and excited 1 1A″ potential energy surfaces
Journal of Chemical Physics, Vol. 114, Núm. 19, pp. 8328-8338
1999
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The dynamics of the hydrogen exchange reaction at 2.20 eV collision energy: Comparison of experimental and theoretical differential cross sections
Journal of Chemical Physics, Vol. 110, Núm. 20, pp. 9971-9981
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
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