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De-Yin Wu*, Sai Duan, Xiu-Min Liu, Yong-Chun Xu, Yu-Xiong Jiang, Bin Ren, Xin Xu, S. H. Lin, Zhong-Qun Tian ‘A Theoretical Study of Binding Interaction and Vibrational Raman Spectra of Water in Hydrog
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Gang Fu, Xin Xu*, Hui-Lin Wan*, ‘Relationship between physicochemical properties of metal oxides and their reactivity in selective oxidation of lower alkanes: cluster model studies’, J. Phys. Chem. A.
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De-Yin Wu*, Xiu-Min Liu, Duan Sai, Xin Xu, Bin Ren, Sheng-Hisen Lin, Zhong-Qun Tian, ‘Chemical Enhancement Effects in SERS Spectra: A Quantum Chemical Study of Pyridine Interacting with Coinage and Tr
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Xian-Yong Yu, Xin Xu*, Zhong Chen*, ‘ESI-MS and theoretical study on the interaction systems between diperoxovanadate complex and histidine-like ligands’, Int. J. Mass Spectr., 269(2008)138-144.
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丁秀丽,吴剑鸣*,徐昕, ‘电子亲合势的密度泛函理论研究’, 高等学校化学学报,Ding Xiu-Li, Wu Jian-Ming*, Xu Xin, ‘Theoretical Studies of Electron Affinities with Density Functional Methods’, Chem. J Chin. Univ., 2008,29(2):396-398.
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Xingan Wang, Wenrui Dong, Minghui Qiu, Zefeng Ren, Li Che, Dongxu Dai, Xiuyan Wang and Xueming Yang*, Zhigang Sun, Bina Fu, Soo-Y. Lee, Xin Xu and Dong H. Zhang*, ‘HF(v’=3) forward scattering in the F
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Jianming Wu and Xin Xu* Improving the B3LYP bond energies by using the X1 method, J. Chem. Phys., 129(2008), 164103.
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Zefeng Ren, Li Che, Minghui Qiu, Xingan Wang, Wenrui Dong, Dongxu Dai, Xiuyan Wang and Xueming Yang*, Zhigang Sun, Bina Fu, Soo-Y. Lee, Xin Xu and Dong H. Zhang*, ‘Probing the resonance potential in
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Li Rao, Hongwei Ke, Gang Fu, Xin Xu*, and Yijing Yan, Performance of Several Density Functional Theory Methods on Describing Hydrogen-Bond Interactions, J. Chem. Theory Comput., 5(1)(2009)86-96.
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Jianming Wu and Xin Xu*, Accurate Prediction of Heats of Formation by a Combined Method of B3LYP and Neural-Network Correction, J. Comput. Chem., 30(9)(2009)1424-1444.
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Ying Zhang, Xin Xu*, and William A. Goddard III* ‘Doubly hybrid density functional for accurate descriptions of nonbond interactions, thermochemistry, and thermochemical kinetics’, Proc. Natl. Acad. S
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Lei Gong, Zhening Chen, Yumei Lin, Xumin He,* Ting Bin Wen, Xin Xu, and Haiping Xia*, Osmabenzenes from Osmacycles Containing an h2-Coordinated Olefin, Chem. Eur. J. 15(25), 6258-6266, 2009, DOI: 10.1
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Yanliang Ren, Wei Ke, Yongjian Li, Lingling Feng, Jian Wan,* and Xin Xu*, Understanding the Spectroscopic Properties of the Photosynthetic Reaction Center of Rhodobacter sphaeroides by a Combined Theo
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Hai-Ming Zhang, Zu-Kui Pei, Zhao-Xiong Xie,* La-Sheng Long, Bing-Wei Mao, Xin Xu,* and Lan-Sun Zheng, Preparing Self-Assembled Monolayers of Cyanuric Acid and Melamine Complex on HOPG Surfaces, J. Phy
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Wang, Y; Fu, G; Zhang, Y; Xu, X*; Wan, HL, O-atom transfer reaction from N2O to CO: A theoretical investigation, Chem. Phys. Lett., 475(4-6):202-207; JUN 25 2009.
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Wang XL, Xu X*, Dissociative Adsorption of PH3 on the Si(111)-7 x 7 Surface: A Theoretical Investigation, J. Phys. Chem. C 113(18)(2009):7843-7850.