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Citation: Li Quan, Xu Cheng-Gang, Wang Hong-Yan, Zhu Zheng-He. Thermodynamic Stability of PuH₂ (g) Molecules[J]. Acta Physico-Chimica Sinica, ;2002, 18(10): 952-955. doi: 10.3866/PKU.WHXB20021018 shu

Thermodynamic Stability of PuH₂ (g) Molecules

1.
Chemistry Department, Sichuan Normal University, Chengdu　610068;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu　610065

Received Date: 28 January 2002
Available Online: 15 October 2002

Based on the relativistic effective core potential (RECP) for Pu atom and 6-311G* basis sets for H atom, the thermodynamic functions for PuH2(g) have been calculated by ab initio method, and the thermodynamic functions formed for PuH2(g)molecules have been worked out by thermodynamic method. The results of calculation show that PuH2(g) molecules are not thermodynamic stable.
- PuH₂;Thermodynamic stability;Density functional theory(DFT)
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

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通讯作者: 陈斌, bchen63@163.com

Thermodynamic Stability of PuH₂ (g) Molecules