FRANCISCO JAVIER
AOIZ MOLERES
Catedrático de universidad
Massachusetts Institute of Technology
Cambridge, Estados UnidosPublicaciones en colaboración con investigadores/as de Massachusetts Institute of Technology (4)
2019
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New Stress Test for Ring Polymer Molecular Dynamics: Rate Coefficients of the O(3P) + HCl Reaction and Comparison with Quantum Mechanical and Quasiclassical Trajectory Results
Journal of Physical Chemistry A, Vol. 123, Núm. 37, pp. 7920-7931
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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Stress test for quantum dynamics approximations: Deep tunneling in the muonium exchange reaction D + HMu → DMu + H
Journal of Physical Chemistry Letters, Vol. 5, Núm. 23, pp. 4219-4224
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