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81.
Balucani N Cartechini L Capozza G Segoloni E Casavecchia P Volpi GG Javier Aoiz F Bañares L Honvault P Launay JM 《Physical review letters》2002,89(1):013201
The quantum (QM) scattering theory has been difficult to apply to the family of insertion reactions and the approximate quasiclassical trajectory (QCT) method or statistical calculations were mostly applied. In this Letter, we compare the experimental differential cross sections for the title insertion reaction with the results of QM and QCT calculations on an ab initio potential energy surface. The QM results reproduce well the crossed beam experiment, while a small, but significant, difference in the QCT ones points to quantum effects, possibly the occurrence of tunneling through the combined potential and centrifugal barrier. 相似文献
82.
Relative values of the total reaction cross section σR for the crossed molecular beam reaction K + C2H5I → KI + C2H5 have been measured over the translational energy (ET) range 0 17–0.55 eV. It is found that σR decreases monotonically with ET over this range, any maximum in σR(ET) is presumed to lie below 0.17 eV. 相似文献
83.
A collision model for the kinetic energy dependence of the reaction cross section has been obtained by considering total angular momentum limitation at the entrance (reactants) or exit (products) reactive channel in the atom—diatom scheme. The model provides a satisfactory representation of the main “translational cross section features” (i.e., Arrhenius like behaviour near threshold, maximum, post-maximum decline and minimum) found in the reaction cross section by molecular beam experiments. Maximum and minimum explanations, including some predictions as well as a comparison with previous theoretical treatments are reported. Also an approximate method to obtain dissociation energies of the product diatom from the cross-section data is presented with relative success. 相似文献
84.
Vlaar MJ Ehlers AW de Kanter FJ Schakel M Spek AL Lammertsma K 《Angewandte Chemie (International ed. in English)》2000,39(16):2943-2945