an interaction potential at different orientation for the ch4 and co2 complex was derived at theb3lyp level of theory and 6-31+g* basis sets. the potential energy surface was computed on somemolecular geometries. the complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. to determine the second virial coefficients b, u(r) is used to obtain themodel’s ...

An interaction potential at different orientation for the CH4 and CO2 complex was derived at theB3LYP level of theory and 6-31+G* basis sets. The potential energy surface was computed on somemolecular geometries. The complete basis set limit of the interaction energies were fitted to wellknownanalytical functions. To determine the second virial coefficients B, U(r) is used to obtain themodel’s ...

This paper investigates the buckling of finite isotropic rectangular plates with circular cutout under uniaxial and biaxial loading. The complex potential method is used to calculate the pre-buckling stress distribution around the cutout in the plate with finite dimensions. To satisfy the in-plane boundary conditions, the generalized complex-potential functions are introduced and a new method b...

in order to represent the potential energy function over the whole range of r, many potentialenergy functions have been proposed. in the present paper, we employ many potential energyfunctions, to use numerov method for solving the nuclear schrödinger equation for the ifmolecule, as an example of a heteronuclear diatomic molecules. then we determine thespectroscopic constants eω , e e x ω , e b...

in this paper, we introduce the idea of generalized relative order (respectively generalized relative lower order) of entire functions of two complex variables. hence, we study some growth properties of entire functions of two complex variables on the basis of the definition of generalized relative order and generalized relative lower order of entire functions of two complex variables.

this work deals with the calculation of franck-condon factors using hua potential function for the first time. the advantages of this function have been mentioned, and the numerical methods are used to obtain franck-condon factors for the following band systems: agreement between the values of this work and those obtained from other works is quite good that verifies the reliability of the prese...

The present paper is aimed to study an exact analysis of the free vibrations of a simply supported, homogeneous, transversely isotropic, cylindrical panel based on three-dimensional generalized theories of thermoelastic diffusion. After applying the displacement potential functions in the basic governing equations of generalized thermoelastic diffusion, it is noticed that a purely transverse mo...