研究领域
结构化学 量子化学 计算机辅助化学教学
近期论文
叶世勇等,条件概率与刚性近似下高分子链非格子模型的Monte Carlo 模拟,北京理工大学(自)2006,26(6),544-548 Ye Shiyong, Ye Yin,The preparation and photoluminescence of in situ self-assembly 1D PbS nanocrystals Journal of Crystal Growth,2005,284,172-175. 叶世勇等,聚氧乙烯尾型链构象统计的Monte Carlo 模拟, 计算机与应用化学,2005,22(11),995-997 叶世勇等,磷氰同分异构化合物结构与稳定性的理论研究,计算机与应用化学,2004,21(4),591-594 Ye Shiyong, Shao Mingwang, Microwave-assisted solvothermal route to silver copper sulfide and silver mercury sulfide ternary compounds via co-displacement reaction. Materials Letter, 2003,22,2056-2059 叶世勇等 “最大重迭迭分子轨道与分子几何参数计算“,计算机与应用化学,2003,20(3):302-304 叶世勇等, “MNDO 级别上的最大重迭对称性分子轨道” ,商丘丘师范学院 2003 19(5) 84-88 Ye Shiyong, Shao Mingwang, Microwave-assisted solvothermal route to silver copper sulfide and silver mercury sulfide ternary compounds via co-displacement reaction. Materials Letter, 2003,22,2056-2059 叶世勇等 “最大重迭迭分子轨道与分子几何参数计算“,计算机与应用化学,2003,20(3):302-304 叶世勇等, “MINDO/3 级别上的最大重迭对称性分子轨道” ,安徽师大学报 2002(3)249-253 叶世勇等,“NMR偶合常数的从头算级别自然杂化轨道研究” ,化学研究与应用 2001(3) 叶世勇等,“PPP级别上的最大重迭对称性分子轨道” ,安徽师大学报2000(4) 沈良骏,叶世勇,“PEO尾形链构象统计的Monte Carlo研究”,计算机与应用化学 2000(1) 叶世勇等“一种链分子构象完全计算方案”,安徽师大学报 2000(1) Ye Shiyong, "Maximum Overlap Symmetry Molecular Orbitals Calculation Under INDO Approximation (II)", J of Anhui Normal University 1998(4) Ye Shiyong, et al. "Maximum Overlap Symmetry Molecular Orbitals Calculation Under INDO Approximation(I)", J. Central China Normal University,1997(3) 叶世勇等,“二苯醚和二苯酮构象研究” ,化学研究与应用 1996(3) 叶世勇,“最大成键能原理及应用”,安徽师大学报(自) 1995(1) Zhan CG,Ye Shiyong, et al., "A study of the correlativity between the ab initio maximum bond order hybrid orbital calculation results and the nuclear spin-spin coupling constant.", J. Mol. struct.(Theo.) 1995,337, 67-76 Ye Shiyong, et al. " Ab initio calculation of Natural hybrid orbitals", Mol. struct.(Theo.) 1994,13, 231-236