Optimal choice of dividing surface for the computation of quantum reaction rates

Cristian Predescu; William H. Miller

Optimal choice of dividing surface for the computation of quantum reaction rates

Chemical Physics 2007-05-23 v3 Computational Physics

Authors: Cristian Predescu , William H. Miller

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Abstract

See http://pubs.acs.org/journals/jpcafh/ for the latest revision

Keywords

dividing surface quantum reaction rates transition state theory reaction dynamics

Cite

@article{arxiv.physics/0408086,
  title  = {Optimal choice of dividing surface for the computation of quantum reaction rates},
  author = {Cristian Predescu and William H. Miller},
  journal= {arXiv preprint arXiv:physics/0408086},
  year   = {2007}
}