计算机专业调剂化学专业,汕头大学计算机化学专业2015年考研调剂信息

汕头大学化学系陈广慧教授招收“计算机化学”硕士生2名

1、研究方向：

a. 小分子药物设计

b. 小分子激发态光谱

c. 金属配合物磷光光谱

d. MOF对小分子气体吸附

e. 大气化学。

2. 导师简介

a。陈广慧：男，1972年生，博士，教授。1999年进入吉林大学理论化学计算国家重点实验室后，开始从事理论化学计算研究。2002年以来发表有关小分子结构与稳定性、离子-分子反应机理、配合物光谱和纳米管功能化等研究论文30余篇，均被SCI收录，大多发表在J. Phys. Chem.、 J. Chem. Phys。等美国著名期刊，在理论化学计算领域具有一定的影响力。于2005、2007年先后赴美国加州州立大学和香港大学访学。

b. 受教育经历

1999-2004吉林大学理论化学计算国家重点实验室，硕博联读

c. 研究工作经历

2005-2006,美国加州州立大学访问学者

2007-2008,香港大学，理学院化学系级研究助理

2008,6-至今，汕头大学，理学院化学系教授，硕导

3、部分发表论文

1. Ke-fu Gao, Guang-hui Chen*, and Di Wu

A DFT study on the interaction between glycine molecules/radicals and the (8,0)SiCNT”

Phys. Chem. Chem. Phys. 2014, 16, 17988-17997. (IF=4.22，第一单位)

2. Bing Zhong1,#, Yunmei Zhen2,#, Guangrong Qin1, Huaiyu Yang1, Hualiang Jiang1,Guanghui Chen2,* and Kunqian Yu1,* Progress in Studies of Structure, Mechanism and Antagonists Interaction of GPCR Co-Receptors for HIV

Current Pharmaceutical Biotechnology, 2014, 15, 000-000(IF=2.5，第一单位)

3.Yun-mei Zhen, Guang-rong Qin, Cheng Luo, Hua-liang Jiang, Kun-qian Yun* and Guang-hui Chen*

Exploring ring-catalyzed Ubiquitin transfer mechanism by MD and QM/MM calculations,

PloS. One, 2014, 9(7)， e101663. (IF=3.534，第一单位)

4.Hui Wu, Guanghui Chen*, Yun-peng Yu and Qiang Wang

Theoretical exploration of the half-metallicity of graphene nanoribbons/boron nitride bilayer system

Comput. Mat. Sci., 2014, 95, 384-392(IF=2.2，第一单位)

5. Hai-long Liang, Guang-hui Chen*, and Feng-long Gu*

Theoretical study on the mechanism of reaction of CHF2 with NO2

Comput. Theo. Chem., 2013, 1010, 1-10(IF=1.1，第一单位)

6. Hai-xia Lin, Hai-long Liang, Guang-hui Chen*, Feng-long Gu*,Wen-guang Liu and Shao-fei Ni

Theoretical study on the reaction mechanisms of CH3O- with O2(X3?g-) and O2(a1Δg)

J. Phys. Chem. A, 2012, 116, 11656 – 11667(IF=2.9，第一单位)

7. Da-Qian Feng, Xiao-Ping Zhou, Ji Zheng, Guang-hui Chen, Xiao-Chun Huang and Dan Li*

In situ selective N-alkylation of pendant pyridyl functionality in mixed-valence copper complexes with methanol and copper(II) bromide

Dalton Transactions 2012, 41, 4255 - 4261(IF=4.0，第一单位)

8. Wen-guang Liu, Guang-hui Chen*, Xiao-chun Huang, Di Wu and Yun-peng Yu

DFT Studies on the Interaction of an Open-Ended Single-Walled Aluminum Nitride Nanotube (AlNNT) with Gas Molecules

J. Phys. Chem. C 2012, 116, 4957 – 4964(IF=4.85，第一单位)

9. Hai-xia Lin, Guang-hui Chen*, Hui-ling Liu, Dan Li, Xiao-chun Huang, Wen-guang Liu and Yu-qiu Jiao

Theoretical study on the reaction mechanism of NH2- with O2(a1Δg)

J. Phys. Chem. A 2011, 115, 13581-13588(IF=2.9，第一单位)

10. Zhi Lv, Guang-hui Chen*, Dan Li, Di Wu, Xiao-chun Huang, Zhi-ru Li and Wen-guang Liu

RgBF2+ complexes (Rg=Ar, Kr, and Xe)： the cations with large stabilities

J. Chem. Phys. 2011, 134, 154302 -154309(IF=3.0，第一单位)

11. Guo-fen Gao, Mian Li, Shun-ze Zhan, Zhi Lv, Guang-hui Chen, and Dan Li*

Confined Metallophilicity within a Coordination Prism

Chem. Eur. J. 2011, 17, 4113-4117(IF=6.0，第一单位)

12. Yi Pan, Guang-hui Chen*, Di Wu, Zhi Lv, Zhi-ru Li, Dan Li, Xiaochun Huang

Theoretical study on structures and stability of GeSiN and GeCP radicals

Chem. Phys. Lett. 2010, 487, 171-176(IF=2.0，第一单位)

13. Zhen-bo Liu, Zhi-ru Li, Ming-hui Zuo, Qing-zhong Li, Fang Ma, Zhong-jun Li, Guang-hui Chen, Chia-chung Sun

Rare gas atomic number dependence of the hyperpolarizability for rare gas inserted fluorohydrides, HRgF (Rg=He, Ar, and Kr)

J. Chem. Phys. 2009，131, 044308-044313(IF=3.1，第一单位)

14. Guang-hui Chen, Krishnan Balasubramanian

Electronic states and stability of GeC2N radical

Chem. Phys. Lett., 2007, 438 (4-6)， 162-168.

15. Guang-hui Chen, Yi-hong Ding, Xu-ri Huang, and Chia-chung Sun

Theoretical investigation on potential energy surface of CSiNP isomers

J. Mol. Struc。(TheoChem) 2006, 772(1-3)， 51-64.

16. Guang-hui Chen, Yi-hong Ding, Xu-ri Huang, Chia-chung Sun

Theoretical study on structures and stability of Si2CP isomers

J. Phys. Chem. A, 2005,109( 25)， 5619-5624.

17.Hui-ling Liu, Xu-ri Huang, Guang-hui Chen, Yi-hong Ding, Chia-chung Sun

Theoretical study on structures and stability of SiC3P isomers

J. Phys. Chem. A, 2004, 108(52)， 11828-11837.

18. Guang-tao Yu, Yi-hong Ding, Xu-ri Huang, Guang-hui Chen, Au-chin Tang

Theoretical study on structures and stability of NC3S isomers

J. Phys. Chem. A, 2004, 108(48)， 10723-10739.

19. Hui-ling Liu, Xu-ri Huang, Guang-hui Chen, Yi-hong Ding,，Chia-chung Sun

SiC3N: A Promising Interstellar Molecule with Stable Cyclic Isomers

J. Phys. Chem. A, 2004, 108( 33)， 6919-6927.

20. Guang-hui Chen, Yi-hong Ding, Xu-ri Huang, Ze-sheng Li, Chia-chung Sun

Theoretical investigation on the potential energy surface of Si2NP molecule

J. Phys. Chem. A, 2004, 108( 24)， 5268-5277.

21. Guang-hui Chen, Yi-hong Ding, Xu-ri Huang，Jian-kang, Yu, Chia-chung Sun

Si2CN: A stable nitrogen-containing radical with cyclic ground state

J. Chem. Phys., 2004, 120(18)， 8512-8520.

22. Guang-hui Chen, Yi-hong Ding, Xu-ri Huang, Ze-sheng Li, Chia-chung Sun

Theoretical study on structures and stability of SiC2S isomers

J. Phys. Chem. A, 2003, 107(35)， 6859-6868.

23. Guang-hui Chen, Yi-hong Ding, Xu-ri Huang, Hong-xing Zhang, Ze-sheng Li, Chia-chung Sun

SiC2P: A promising molecule with two stable cyclic structures

J. Phys. Chem. A, 2002, 106( 43)， 10408-10414.

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