Publicacións en colaboración con investigadores/as de University of Minnesota (13)

2010

  1. Direct dynamics implementation of the least-action tunneling transmission coefficient. Application to the CH4/CD3H/CD4 + CF3 abstraction reactions

    Journal of Chemical Theory and Computation, Vol. 6, Núm. 10, pp. 3015-3025

  2. Least-action tunneling transmission coefficient for polyatomic reactions

    Journal of Chemical Theory and Computation, Vol. 6, Núm. 1, pp. 6-17

2007

  1. Symmetry numbers and chemical reaction rates

    Theoretical Chemistry Accounts, Vol. 118, Núm. 4, pp. 813-826

  2. Variational transition state theory with multidimensional tunneling

    Reviews in Computational Chemistry, Vol. 23, pp. 125-232

2006

  1. Modeling the kinetics of bimolecular reactions

    Chemical Reviews, Vol. 106, Núm. 11, pp. 4518-4584

2001

  1. Improved algorithm for corner-cutting tunneling calculations

    Journal of Chemical Physics, Vol. 114, Núm. 4, pp. 1491-1496