DFT Study on the Thermodynamic Properties of Poly-bromine Carbazole
DFT Study on the Thermodynamic Properties of Poly-bromine Carbazole
复制标题
多溴咔唑热力学性质的DFT研究
DOI：
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发表时间：
2010
影响因子：
2.2
通讯作者：
Liu HX
中科院分区：
文献类型：
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作者：
Wang ZY;Liu H;Yang GY;Xu S;Liu HX
The molecular structures of 135 poly-bromine carbazole (PBCZs) compounds were fully optimized at the B3LYP/6-31G* level, and their thermodynamic properties at 98.15 K, 1.013 ×105 Pa were consequently obtained. Based on our isodesmic reaction, standard for
