Xu Xin Home--Academic Achievements

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徐昕

教授 Supervisor of Doctorate Candidates

Name (Pinyin):Xu Xin
E-Mail:xuxin@fudan.edu.cn
School/Department:化学系
Education Level:研究生毕业
Gender:Male
Degree:博士学位
Professional Title:教授
Status:Employed
Academic Titles:教师
Discipline: Physical Chemistry

Home / Scientific Research / Academic Achievements

Academic Achievements

Zhang Igor Ying；Wu Jianming；Xu Xin, Accurate heats of formation of polycyclic saturated hydrocarbons predicted by using the XYG3 type of doubly hybrid functionals -JOURNAL OF COMPUTATIONAL CHEMISTRY -2019-01-01 -40
Guo Wenping；Michel Carine；Schwiedernoch Renate；Wischert Raphael；Xu Xin；Sautet Philippe, Formation of Acrylates from Ethylene and CO2 on Ni Complexes: A Mechanistic Viewpoint from a Hybrid DFT Approach -ORGANOMETALLICS -2014-01-01 -33
Gu, Yonghao；Xu, Xin, A correlation-relaxation-balanced direct method at the second order perturbation theory for accurate ionization potential predictions -PHYSICAL CHEMISTRY CHEMICAL PHYSICS -2020-01-01 -22
Zhang Xu；Yang Xiaodi；Geng Hua；Nan Guangjun；Sun Xingwen；Xi Jinyang；Xu Xin, Theoretical Comparative Studies on Transport Properties of Pentacene, Pentathienoacene, and 6,13-Dichloropentacene -JOURNAL OF COMPUTATIONAL CHEMISTRY -2015-01-01 -36
Gong Zu-Yong；Duan Sai；Tian Guangjun；Jiang Jun；Xu Xin；Luo Yi, Infrared spectra of small anionic water clusters from density functional theory and wavefunction theory calculations -PHYSICAL CHEMISTRY CHEMICAL PHYSICS -2015-01-01 -17
Zhang Igor Ying；Su Neil Qiang；Bremond Eric A.G.；Adamo Carlo；Xu Xin, Response to "Comment on 'Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0"' [J. Chem. Phys. 143, 187101 (2015)] -JOURNAL OF CHEMICAL PHYSICS -2015-01-01 -143
Su Neil Qiang；Xu Xin, Beyond energies: geometry predictions with the XYG3 type of doubly hybrid density functionals -CHEMICAL COMMUNICATIONS -2016-01-01 -52
Wang Yifei；Chen Zheng；Han Peng；Du Yonghua；Gu Zhengxiang；Xu Xin；Zheng Gengfeng, Single-Atomic Cu with Multiple Oxygen Vacancies on Ceria for Electrocatalytic CO2 Reduction to CH4 -ACS Catalysis -2018-01-01 -8
Su Neil Qiang；Xuo Xin, Insights into Direct Methods for Predictions of Ionization Potential and Electron Affinity in Density Functional Theory -Journal of Physical Chemistry Letters -2019-01-01 -10
Gu, Yonghao；Xu, Xin, Extended Koopmans' theorem at the second-order perturbation theory -JOURNAL OF COMPUTATIONAL CHEMISTRY -2020-01-01 -41

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