Quantum chemical calculation approach for the elucidation of the

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To evaluate the interaction energy with the xenon atom and the compounds which is contained in the crust, the screening program has developed. Ab initio and DFT electronic structure calculations were carried out to determine the equilibrium structures and harmonic frequencies for the several hundreds of Earth's constituents molecule to determine the interaction with noble gas atom. Xenon does not make a compound with silicon that is a major component of the crust. It has been shown that xenon atom generate a stable bond with a transition metal element which is relatively rare in the crust.