个人资料
个人简介社会职务研究领域 量子化学计算
开授课程电化学原理 化学电源 量子力学 科研项目 陕西省自然科学基础研究计划 2015JM2040 富勒烯及硼杂富勒烯形成机理的模拟研究
论文(1) Lei Xu, Xueguang Shao, Wensheng Cai*, Electronic structures, stabilities, and spectroscopies of the fullerene derivatives C68X4 (X = H, F, Cl), Journal of Molecular Structure: THEOCHEM, 2010, 945(1-3):33-38 (2) Lei Xu, Xueguang Shao, Wensheng Cai*, Structure, stability, and thermochemistry of the fullerene derivatives C64X6 (X = H, F, Cl), Journal of Physical Chemistry A, 2009, 113(40): 10839-10844 (3) Lei Xu, Yi Lin, Wensheng Cai*, Xueguang Shao, From multilayered graphite flakes to nanostructures: A tight-binding molecular dynamics study, Journal of Chemical Physics, 2008, 129, 224709 (4) Lei Xu, Wensheng Cai*, Xueguang Shao, Systematic search for energetically favored isomers of large fullerenes C122-C130 and C162-C180, Computational Materials Science, 2008, 41, 522-528 科技成果荣誉奖励工作经历 |