Title of article :
QUANTUM SCATTERING CALCULATIONS ON CHEMICAL REACTIONS
Author/Authors :
Althorpe، Stuart C. نويسنده , , Clary، David.C. نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2003
Abstract :
This review discusses recent quantum scattering calculations on bimolecular chemical reactions in the gas phase. This theory provides detailed and accurate predictions on the dynamics and kinetics of reactions containing three atoms. In addition, the method can now be applied to reactions involving polyatomic molecules. Results obtained with both time-independent and time-dependent quantum dynamical methods are described. The review emphasises the recent development in timedependent wave packet theories and the applications of reduced dimensionality approaches for treating polyatomic reactions. Calculations on over 40 different reactions are described.
Journal title :
Annual Review of Physical Chemistry
Journal title :
Annual Review of Physical Chemistry