Interaction of hydrogen atoms with polyatomic molecules studied by means of scattering experiments and hybrid Hartree-Fock plus damped dispersion calculations

摘要: Total differential collision cross sections for the scattering of H atoms from ethane (C/sub 2/H/sub 6/), propane 8/), acetylene 2/), and O/sub 2/ have been measured information on spherical nonspherical parts interaction potential extracted by means calculations which make use infinite-order sudden (IOS) approximation. The interactions three other systems, + Ar, CH/sub 4/, CO, previously in our laboratory calculated hybrid Hartree-Fock plus damped dispersion (HFD) energy calculation found to be good agreement with experimental potentials. A model is then constructed derive main features higher hydrocarbons knowledge 4/ interaction. predictions this are excellent parameters both 4 figures, 9 tables.