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Dynamical studies of the reaction H + +He+He→HHe + +He
Author(s) -
Yu HuaGen
Publication year - 1995
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.19950130505
Subject(s) - chemistry , ab initio , potential energy surface , molecule , product (mathematics) , atomic physics , computational chemistry , analytical chemistry (journal) , physics , organic chemistry , geometry , mathematics
The classical trajectory method is employed to calculate the rate coefficient k r for the reaction H + +He+He→HHe + + He at the temperatures ranging 200–350 K, based on an ab initio potential energy surface. The results show that k r is strongly dependent on the temperature, which can be well fitted by the function k r =AT Dr‐3 with A =4.192×10 −31 cm 6 /s and the reaction dimension Dr =2.706. The product molecules HHe + are found in high vibrational states.