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物理学报  2003 

Thermodynamics stability for ground state CUO
CUO基态分子热力学稳定性研究

Keywords: CUO,stability,thermodynamics functi ons
CUO分子
,热力学函数,稳定性,Debye固体理论,量子力学计算,统计物理学,电子运动

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Abstract:

Based on the quantum mechanics, statistical thermodynamics and Debye solid theor y,we have successfully calculated thermodynamic functions, energy, entropy and Gibbs functions of CUO(g),indicating that CUO(g) is stable, particularly more stable with rising temperature, and also providing the structural paramet ers of CUO(g) which are valuable for reference.

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