activity
20142023
most citedChemical Reaction Rates from Ring Polymer Molecular Dynamics: Theory and Practical Applications

152 citations · 166 across the 5 of their papers we have counts for

collaborators

5 papers

physics.chem-ph20235 cited

Universal behavior in complex-mediated reactions: Dynamics of S(1D)+ o-D2 --> D + SD at low collision energies

Manuel Lara, P. G. Jambrina, F. J. Aoiz

Reactive and elastic cross-sections, and rate coefficients, have been calculated for the S(1D)+ D2 (v=0, j=0) reaction using a modified hyperspherical quantum reactive scattering m…

physics.chem-ph2016

Product lambda-doublet ratios for the O(3P) + D2 reaction: A mechanistic imprint

P. G. Jambrina, A. Zanchet, J. Aldegunde +2

In the last decade, the development of theoretical methods have allowed chemists to reproduce and explain almost all of the experimental data associated with elementary atom plus d…

physics.chem-ph2016152 cited

Chemical Reaction Rates from Ring Polymer Molecular Dynamics: Theory and Practical Applications

Yury V. Suleimanov, F. Javier Aoiz, Hua Guo

This Feature Article presents an overview of the current status of Ring Polymer Molecular Dynamics (RPMD) rate theory. We first analyze the RPMD approach and its connection to quan…

physics.chem-ph20149 cited

Beyond universality: parametrizing ultracold complex-mediated reactions using statistical assumptions

Manuel Lara, P. G. Jambrina, F. J. Aoiz +1

We have calculated accurate quantum reactive and elastic cross-sections for the prototypical barrierless reaction D + H(=0, =0) using the hyperspherical scattering…

physics.chem-ph2014

Universality in the cold and ultracold dynamics of the barrierless D+ H reaction

Manuel Lara, P. G. Jambrina, F. J. Aoiz +1

We have calculated quantum reactive and elastic cross-sections for D para-H(=0, =0) H + HD collisons using the hyperspherical quantum reactive sc…