On the Theory of Chemicalhyphen;Reaction Cross Sections. II. Application to the H + H2Reaction

摘要

The statisticalmdash;dynamical model formulated in Paper I is applied to the H+H2rarr;H2+H reaction and compared with the exact threehyphen;dimensional classicalhyphen;mechanical computer calculations of reaction cross sections. Encouraging agreement is obtained in the lowhyphen;tohyphen;moderate relative velocity range, without the use of adjustable parameters. At very high velocities the comparison indicates the occurrence of some vibrational nonadiabaticity. Calculations are presently in progress to see if this nonadiabaticity equals that expected from a companion paper on analytical mechanics of certain collisions. Applications are also made to several topics: relations between classical and quantum computer calculations of cross sections, between activation energy and the recently reported threshold energy of reaction (D+H2rarr;DH+H), and tests of activatedhyphen;complex theory.