首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Microscopic reversibility and probability matrices for molecular collisions
Authors:H Kaplan  RD Levine  J Manz
Institution:1. Department of Physical Chemistry , The Hebrew University , Jerusalem , Israel;2. Department of Chemical Physics , The Weizmann Institute of Science , Rehovot , Israel;3. Department of Physical Chemistry , The Hebrew University , Jerusalem , Israel;4. Lehrstuhl für Theoretische Chemie, Technische Universit?t , München
Abstract:An information theoretic procedure for the prediction of collision probability matrices subject to a dynamic constraint is derived, discussed and illustrated by an example. The novel point in the derivation is the imposition of the symmetry of time-reversal invariance as a rigorous kinematic constraint in the process of minimizing the entropy deficiency. The resulting probability matrix is thereby guaranteed to be strictly symmetric. The structure of the probability matrix, as derived here, relates the energy requirements and energy disposal of the same reaction.
Keywords:
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号