Reactive modes in condensed phase reactions

DOI PDF 被引用文献8件
  • Richard F. Grote
    Department of Chemistry, University of Colorado, Boulder, Colorado 80309
  • James T. Hynes
    Department of Chemistry, University of Colorado, Boulder, Colorado 80309

抄録

<jats:p>The rate constant k for condensed phase chemical reactions is found when a saddle point normal mode analysis holds and when the dynamic solvent forces are of the generalized Langevin type. If the reactive and nonreactive modes are uncoupled, the deviation of k from its transition state value ktst is governed by the nonadiabatic friction on the reactive mode. In the more typical case where the modes are coupled k/ktst is governed by an effective nonadiabatic reactive mode friction which completely accounts for intramode coupling. Some simple illustrations of mode coupling effects on k are given.</jats:p>

収録刊行物

被引用文献 (8)*注記

もっと見る

キーワード

詳細情報 詳細情報について

問題の指摘

ページトップへ