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DFT Calculation on 76 Polychlorophenazines: Their Thermodynamic Function and Implication of Cl Substituted Position
DFT 76 Polychlorophenazines Thermodynamic Function
2009/9/2
Thermodynamic functions, including enthalpy (Hθ) and entropy (Sθ) for 76 polychlorophenazines (PCPZs) in the gas state at 298.15 K and 101.325 kPa, have been calculated using the B3LYP/6-3...
期刊信息
篇名
A new numerical method for calculation of complex dielectric permittivity
语种
英文
撰写或编译
撰写
作者
Long Yunliang et al.
第一作者单位
中山大学
刊物名称
Chinese J.of System Engineering & Electronics
页面
1998，9（4），41-...