Ab initio potential-energy surface and rotationally inelastic integral cross sections of the Ar-CH4 complex
نویسندگان
چکیده
منابع مشابه
Theoretical study of intermolecular potential energy and second virial coefficient in the mixtures of CH4 and H2CO gases
To get a mole of a gas, it is necessary to calculate the intermolecular interaction. Theseintermolecular interactions can be depicted by drawing the potential energy of a pair molecule inrelation to the distance. The intermolecular potential energy surface in the mixtures of CH4-H2COgases from ab initio calculations has been explored. In ab initio calculations the basis setsuperposition error (...
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