picture
 
朱 华
职称与职务
教 授(博导)
专      业
物理化学
电      话
85418330
E-Mail
简  历
朱华,教授,博士生导师。1993年毕业于四川理工学院化工系,1998年获四川大学物理化学专业硕士学位,2002年获四川大学物理化学专业博士学位。1998年至今在四川大学化学学院工作。2006年任四川大学博士生导师,2009年任四川大学教授。
主要研究方向
分子间弱相互作用体系构型和光谱性质的理论研究
范德华簇合物构型、能量和光谱性质的理论研究
主要工作业绩
在分子间弱相互作用体系特别是一些新型复合物势能面和振转光谱以及簇合物构型和光谱性质领域开展了一系列研究工作。作为项目负责人主持了三项国家自然科学基金和一项四川省应用基础研究,协作参与国家杰出青年科学基金一项,作为主研参加国家自然科学基金九五重大课题一项,国家自然科学基金面上项目四项及博士点基金一项,发表了四十余篇SCI收录学术论文。
获奖:
1. 2007年:四川大学本科优秀教学一等奖
2. 2006年:四川大学“先进个人优秀教师”称号
3. 2006年: 四川大学“双语教学”比赛二等奖
4. 2006年:四川大学“优秀学分制指导教师”称号
5. 2005年: 四川大学“电子教案”比赛二等奖
6. 2004年: 四川大学“实德教师奖励计划”奖
7. 2005、2007和2008年: 四川大学“青年骨干教师”奖
代表性成果 (获奖成果、专著、论文、专利)
1. Ting Yuan, Xueli Sun and Hua Zhu*, A new ab initio potential energy surface and infrared spectra for the Ar–CS2 complex, J. Chem. Phys.141, 104306 (2014).
2.Ting Yuan and Hua Zhu*, A new ab initio potential energy surface and infrared spectra of the He–CS2 complex, Theor. Chem. Acc.133, 1537 (2014).
3.Xueli Sun and Hua Zhu*, Ab initio potential energy surface and predicted rotational spectra of the Ne–H2O complex, J. Chem. Phys.138, 204312 (2013).
4.Xueli Sun and Hua Zhu*, Ab initio potential energy surface and rovibrational bound states of the Kr–HCCCN complex, Chem. Phys. Lett. 566, 4-7 (2013).
5. Futing Xia and Hua Zhu*, Effect of sulfur substitution for methanolysis of paraoxon, Comput. Theor. Chem. 982, 8 (2012).
6. Futing Xia and Hua Zhu*, Density functional calculations on the effect of sulfur substitution for 2-hydroxypropyl-p-nitrophenyl phosphate: C-O vs. P-O bond cleavage, Bioorg. Chem. 40, 99 (2012).
7. Min Chen and Hua Zhu*, Potential energy surfaces and microwave and infrared spetra of the Xe–CO2 complex, J. Theor. Comput. Chem. 11, 537 (2012).
8. Rong Chen and Hua Zhu*, Potential energy surfaces and microwave and infrared spetra for the 20Ne–13C16O2, 22Ne–12C16O2, and 22Ne–13C16O2 complexes, J. Theor. Comput. Chem. 11, 1175 (2012).
9. Jingpin Lei, Yanzi Zhou, Daiqian Xie* and Hua Zhu*, A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Kr–H2O complex, J. Chem. Phys. 137, 224314 (2012).
10. Rong Chen, Hua Zhu* and Daiqian Xie*, Intermolecular potential energy surfaces and microwave and infrared spetra of the Kr–CO2 complex from ab initio calculation. Chem. Phys. Lett. 511, 229 (2011).
11. Futing Xia and Hua Zhu*, A theoretical study of solvent effects on tautomerism electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2,3-dihydroxypyridine, J. Comput. Chem. 32, 2545 (2011).
12. Erqiang Jiao, Futing Xia and Hua Zhu*, Density functional study for the C-F bond activation of the reaction of Pt[(PCy3)2] and C6F6, Comput. Theor. Chem. 965, 92 (2011).
13. Rong Chen, Erqiang Jiao, Hua Zhu* and Daiqian Xie*, A new ab initio potential energy surface and microwave and infrared spetra for the Ne–CO2 complex, J. Chem. Phys. 133, 104302 (2010).
14. Rong Chen and Hua Zhu*, Theoretical prediction of the noble gas complexes HeAuF and NeAuF, Sci. China (B) 52, 1987 (2009).
15. Hua Zhu* and Daiqian Xie*, N2O in small para–hydrogen clusters: structures and energetics, J. Comput. Chem. 30, 841 (2009).
16. Changjian Xie, Rong Chen, Hua Zhu* and Daiqian Xie*, Ab initio potential energy surface and microwave spectra of Ne–CO2, Chemical J Chinese U. 9, 1851 (2009).
17. Hua Zhu and Daiqian Xie, Theoretical studies on vibrational frequencies decomposition channels of HXeBr, Chem. J. Chinese U. 29, 174 (2008).
18. Rong Chen and Hua Zhu*, Ab initio potential energy surface and predicted rovibrational spectra for the Kr–N2O complex, J. Theor. Comput. Chem. 7, 1093 (2008).
19. Hua Zhu, Yong Guo, Ying Xue and Daiqian Xie, Ab initio potential energy surface and predicted microwave spectra for Ar–OCS dimer and structures of ArN–OCS clusters, J. Comput. Chem. 27, 1045 (2006).
20. Hua Zhu, Yanzi Zhou, and Daiqian Xie, Ab initio intermolecular potential-energy surface and microwave spectra for the Ne–OCS complex, J. Chem. Phys. 122, 234312 (2005).