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SAC-CI Calculation of a Series of the Lowest 2-Pi-States of HCl+ and HBr+ Ions
diatomic molecule potential curves HCl+, HBr+ SAC-CI method
2012/2/29
The symmetry-adapted-cluster configuration interaction (SAC-CI) method is used for ab initio calculation of electronic structure of HCl+ and HBr+ molecular ions. Potential energy curves (PEC) are obta...
Calculation of Viscosity and Diffusion Coefficients for Two Binary Gaseous Mixtures Using the Semi-empirical Inversion Method
Inversion method Viscosity Diffusion Gaseous mixture
2012/4/5
The accurate reduced potential energies for two binary gas mixtures including benzene-methanol and methane-tetrafluoromethane at low density have been obtained by direct inversion of the viscosity col...