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Theoretical Study on Thermodynamic Properties and Hydrophilicity of Polychorinated Phenothiazines （P
[期刊论文] 作者：陈斌媛,张学胜,李定龙,,
来源：结构化学 年份：2011
The thermodynamic properties of 135 polychlorinated phenothiazines (PCPTZs) in the standard state are calculated using a combination of quantum mechanical compu...
QSRR Study on the Relationship between the Chromatographic Capacity Factor and Lipophilicity and Str
[期刊论文] 作者：张学胜,陈斌媛,李定龙,,
来源：结构化学 年份：2012
The capacity factors (k’) of fourteen types of halogenated thiophenols in different phases of methanol-water eluent were determined by reversed phased high-per...
[期刊论文] 作者：侯海锋,陈斌媛,张学胜,王遵尧,,
来源：化学学报 年份：2011
采用密度泛函理论(DFT)方法,在B3LYP/6-311G**和B3LYP/6-31G*两种水平上,对76种多氟代二苯并对二噁英系列化合物(PFDDs)进行了几何构型的全优化,并计算了各分子在298.15 K,1....
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