Química teórica e computacional
QTEC
Princeton University
Princeton, Estados UnidosPublicacións en colaboración con investigadores/as de Princeton University (4)
2014
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The Dalton quantum chemistry program system
Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, Núm. 3, pp. 269-284
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Theoretical kinetics study of the F(2P) + NH3 hydrogen abstraction reaction
Journal of Physical Chemistry A, Vol. 118, Núm. 3, pp. 554-560
2003
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Implementation of a fast analytic ground state potential energy surface for the N(2D) + H2 reaction
Journal of Chemical Physics, Vol. 119, Núm. 6, pp. 3063-3070
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Quasi-classical trajectory calculations on a fast analytic potential energy surface for the C(1D)+H2 reaction
Chemical Physics Letters, Vol. 374, Núm. 3-4, pp. 243-251