李淑瑾 - 苏州大学 - 材料与化学化工学部

研究领域

主要从事理论计算化学研究，研究化学反应机理和动力学研究，反应物、过渡态和产物热力学性质和结构的研究。光谱研究，溶剂化效应以及分子间相互作用力研究

近期论文

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Ab initio and kinetics study of hydrogen abstraction from 1,1-difluoroethane by hydroxyl radical，L.L. Zhang, S.J. Li*, Journal of Molecular Structure (Theochem)，901（2009）38-43. Theoretical investigation of the kinetics for the hydrogen abstraction reactionof 1,1,1,2-tetrafluoroethane (HFC-134a) by chlorine radical，J. Li, P.Z. Wu, L.L. Zhang, S.J. Li*, Journal of Molecular Structure (Theochem)，910（2009）88-92. Prediction of aqueous pKa values of hydroxybenzoic acid using hydrogen-bonded complexes with ammonia，J.D. Zhang, Q.Z. Zhu, S.J. Li*, F.M. Tao, Chemical Physics Letter，475（2009）15-18. Theoretical study of the kinetics for the hydrogen abstraction of 1,1,1,2-tetrafluoroethane (HFC-134a) by hydroxyl radical, L.L. Zhang, S.J. Li*, Journal of Molecular Structure (Theochem)，869（2008）6-10. Ionic dissociations of chlorosulfonic acid in microsolvated clusters:A density functional theroy and ab initio MO study, S.J. Li. , F.M. Tao, R.A .Gu, Science in China Series B:Chemistry,51 (2008) 305-315 Ionic dissociation of methanesulfonic acid in small water clusters, S.J. Li*, L.L. Zhang, W. Qin, F.M. Tao, Chemical Physics Letters. 438(2007)190-195 Intermolecular structure and properties of the methanesulfonic acid–ammonia system in small water cluster S.J. Li*., L.L. Zhang, W. Qin, F.M. Tao, Chemical Physics Letters 447(2007) 33-38 Theoretical and experimental studies on he adsorption behavior of thiophenol on gold nanoparticles, S.J. Li* , D.Y. Wu, X.Y. Xu, R.A. Gu, J. Raman Spectrosc. 38(2007) 1436-1443， Theoretical study of proton transfer reactions of halosulfonic acids with ammonia in hydrated clusters, S.J. Li , F.M. Tao, R.A .Gu,Chemical Physics Letters 417(2006) 434-440. Theoretical investigation of ionic dissociations of fluorosulfonic acid in microsolvated clusters ,S.J. Li , F.M. Tao, R.A .Gu, Chemical Physics 323(2006)397-406. Theoretical study on the ionic dissociation of halosulfonic acids in small water clusters Li, SJ S.J. Li , F.M. Tao, R.A .Gu, Chemical Physics Letters 426(2006)1-7.