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

Authors: , P. G. Jambrina, A. Zanchet, E. Verdasco, Y. V. Suleimanov, and F. J. Aoiz

Ref. Journal of Physical Chemistry A          123, 7920-7931 (2019) DOI: 10.1021/acs.jpca.9b06695

También te puede interesar

[dss_post_featured_image image_size=»medium_large» image_link=»lightbox» align=»center» _builder_version=»4.4.2″ custom_css_title=»width:50%;||-webkit-box-shadow: -7px 7px 5px 0px rgba(0,0,0,0.50);||-moz-box-shadow: -7px 7px 5px 0px rgba(0,0,0,0.50);||box-shadow: -7px 7px 5px 0px rgba(0,0,0,0.50);» global_colors_info=»{}»][/dss_post_featured_image]

Historial publicaciones

Copyright © 2020. - - Todos los derechos reservados