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1、XXX2017年 月 日文献汇报Molecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tian Lu,and Shubin LiuMolecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional React
2、ivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu1.IntroductionMolecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu2.Theoretical frameworkMolecular Ac
3、idity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu3.Computational detailsMolecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity
4、Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu4.Results and discussionMolecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu4.Results and discussionMolecul
5、ar Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu5.ConclusionTheoretical Study of pKa Values for Trivalent Rare-Earth Metal Cations in Aqueous SolutionDonghai Yu,Ruobing Du,Ji-Ch
6、ang Xiao,Shengming Xu,Chunying Rong,and Shubin LiuMolecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu1.IntroductionMolecular Acidity:An Accurate Description with Information
7、-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu2.Theoretical frameworkMolecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,
8、Tia Lu,and Shubin Liu3.Computational detailsMolecular Acidity:An Accurate Description with Information-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu4.Results and discussionMolecular Acidity:An Accurate Description with Informa
9、tion-Theoretic Approach in Density Functional Reactivity Theory Xiaofang Cao,Chunying Rong,Aiguo Zhong,Tia Lu,and Shubin Liu5.Conclusion近期工作汇报参考文献Cao X,Rong C,Zhong A,et al.Molecular acidity:An accurate description with informationtheoretic approach in density functional reactivity theoryJ.Journal of Computational Chemistry,2017.Donghai Yu,Ruobing Du,JiChang Xiao,et al.Theoretical Study of pKa Values for Trivalent RareEarth Metal Cations in Aqueous Solution J.Journal of Phusical Chemistry,2017谢谢观赏
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