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化学计量学方法在环境科学及生命科学中的应用

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Hong-Yan Liu, Shu-Shen Liu, Li-Tang Qin. Semi-empirical topological method for prediction of the gas chromatographic relative retention times of Polybrominated Diphenyl Ethers (PBDEs). J. Mol. Model. 2007, 13, 611-627. Hong-Yan Liu, Shu-Shen Liu, Li-Tang Qin, Ling-Yun Mo. CoMFA And CoMSIA analysis of 2,4-thiazolidinediones derivatives as aldose reductase inhibitors. J. Mol. Model. 2009, 15, 837-845. LIU Hongyan, YI Zhongsheng, Mo Linyun. DFT Study on Correlation between Thermodynamical Property And Molecular Structure of Polybromo-phenoxathiin. Chinese J. Struct. Chem. 2010, 29(2): 233-239. LIU Hong-Yan,MO Ling-Yun,LI Yan-Hong,YI Zhong-Sheng. Prediction of Gas Chromatographic Retention Indices of Organophosphates by DFT And VSMP Method. Chinese J. Struct. Chem. 2012, 31(5): 704-712. 刘红艳,易忠胜,莫凌云. 多氯咔唑系列化合物的热力学性质的密度泛函理论研究. 化学学报,2009, 67(14), 1626-1634. 曾小兰,柳红霞,刘红艳*. 多氯联苯醚的结构参数和热力学性质的密度泛函理论研究. 化学学报. 2007,65(17),1797-1806. LIU Hong-Xia, ZENG Xiao-Lan, LIU Hong-Yan*. Study of Quantitative Structure-Retention Relationship for Substituent Phenols. Chinese J. Struct. Chem. 2007,26(7):855-859. 刘红艳,凌旭飞,窦容妮,莫凌云. 最优权重理论发考察全氟辛烷磺酸对青海弧菌的毒性效应. 应用化学, 2009, 26: 530-532 刘红艳,王遵尧,刘树深. Cl2+2HI=2HCl+I2反应机理的理论研究. 物理化学学报. 2005, 21(9), 961-966.(SCI) 刘红艳,王遵尧,刘树深,翟志才. 多氯萘的气相色谱保留指数与其结构参数的定量关系. 色谱. 2005, 23(4), 336-340. 刘红艳,刘树深. 部分苯酚化合物对梨型四膜虫毒性的三维定量构效关系研究,桂林工学院学报, 2006,26(4): 538-542. 刘红艳,覃礼堂,易忠胜,刘树深.黄酮类醛糖还原酶抑制剂的三维定量构效关系研究. 现代生物医学进展,2006, 6(12): 13-16. 莫凌云,刘红艳,温焕宁. 电拓扑状态预测多氯二苯并噻吩及噻吩砜化合物的气相色谱保留指数. 化学学报,2012, 70(9): 1117-1124 Mo L. Y., Liu H. Y, Yi, Z. S., Li Y. H, Dou R. N., 2011. QSTR Study on the Freshwater Photobacteria Toxicity of Substituted Benzenes, Chinese Journal of Structural Chemistry,2011,30(10), 1403-1411. MO Lingyun, LIU Shushen, LIU Hongyan, QIN Litang. Toxicity Spectra of Substituted Aromatic Hydrocarbon Compounds to Vibrio-qinghaiensis sp.-Q67. Progress in Environmental Science And Technology, 2009,11: 231-234. LV Yuyin, YIN Chunsheng, LIU Hongyan,YI Zhongsheng, WANG Yang. 3D-QSAR study on atmospheric half-lives of POPs using CoMFA And CoMSIA. J. Enviro. Sci. 2008, 20, 1433-1438.

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