主要科研经历

代表性论文

豆育升，男，1953年12月出生，陕西礼泉人，博士,教授，博士生导师。1998年毕业于英国牛津大学化学系，获博士学位，1999年～2003年先后在美国宾夕法尼亚州立大学，德克萨斯A&M大学以及普林斯顿大学进行博士后研究，2006年5月受聘为重庆邮电大学教授，2009年正式成为重庆邮电大学教授。现为重庆邮电大学生物信息学研究所主任。

豆教授是国际知名的计算化学专家，主要从事光化学反应的动力学模拟和生物大分子激光解析模拟。主持和参与国内外多项重大课题，已在国际权威期刊发表论文70余篇，其中某些论文被引用次数超过120次。

主要科研经历

研究方向

1、光化学反应的动力学模拟

2、生物大分子激光解析模拟

主持科研课题

[1] 国家自然科学基金，激光诱导光化学反应的计算机模拟（20773168），208.1---2010.12，总经费26万；

[2] 重庆市自然科学基金，生物分子光化学反应的计算机模拟（2006BB2367），2006.9---2008.9，总经费2.5万；

[3] 重庆市教委科学技术项目，生物大分子质谱分析的计算机模拟（KJ070506），2007.1---2008 .12，总经费2万；

[4] 重庆邮电大学自然科学基金项目，生物大分子质谱分析的计算机模拟(A2006－81),

2006.5---2009.5 ,总经费35.4 万；

[5] 教育部“春晖计划”项目，基于网络的光化学反应计算平台（Z2007-1-6301），总经费3万。

代表性论文

1 Why does trans-azobenzene have a smaller isomerization yield for pp* excitation than for np*excitation? S. Yuan, Y. Dou, Y. Wang, and Z. Wen, J. Phys. Chem. A, accepted.

2 Trans-Cis Photoisomerization of Azobenzene by n®p* Excitation: A Semiclassical Dynamics Study, S. Yuan, W. Wu, Y. Dou, J. Zhao, Chinese Chemical Letters, in press

3 Non-adiabatic simulation study of photoisomerization of azobenzene: detailed mechanism and load-resisting capacity, J. Shao, Y. Lei, Z. Wen, Y. Dou, Z. Wang, J. Chem. Phys. 129, 164111 (2008).

4 A Parallel Algorithm for Simulating Photochemical Reaction. Hongjian Li, Hong Tang, Shixin Sun, Yusheng Dou. IEEE Proceedings of the 2008 IFIP International Conference on Network and Parallel Computing (NPC 2008)/ISBN 978-0-7695-3354-4, 2008, pp 258-262.

5 Construction and Application of Linux Virtual Server Cluster for Scientific Computing. H. Tang, R. She, C. He, Y. Dou. IEEE Proceedings of the 2008 IFIP International Conference on Network and Parallel Computing (NPC 2008) /ISBN 978-0-7695-3354-4, 2008, pp 287-289.

6 Parallel Computing in Semiclassical Dynamics Simulation of Photochemical Reactions. Y. Dou, M. Bai, H. Li, H. Tang, IEEE Proceedings of the 2008 IFIP International Conference on Network and Parallel Computing (NPC 2008) /ISBN 978-0-7695-3354-4, 2008, pp 267-272.

7 Detailed dynamics of the nonradiative deactivation of adenine: A semiclassical dynamics study, Y. Lei, S. Yuan, Y. Dou, Y. Wang, and Z. Wen, J. Phys. Chem. A, 112, 8497 (2008).

8 Ultrafast laser excitation and rotational de-excitation of cis-stilbene

Y. Dou, W. Wu, H, Tang, and R. E. Allen, Chem. Phys. 353, 104 (2008).

9 Dynamic simulation study on ultrafast excited-state torsional dynamics of 9,9’-bianthryl (BA) in gas phase: Real-time observation of novel oscillation behavior with the torsional coordinate, G. J. Zhao, Y.U. Liu, K. L. Han, and Y. Dou, Chem. Phys. Lett. 455, 29 (2008).

10 Involvement of Excited Triplet State in the Photodissociation of Cyclobutane,

Y. Lei, B. Suo, A. Li, Y. Dou, B. Y. Wang, and Z. Wen , Intern. J. Quant. Chem.

108, 789 (2008).

11 Ultrafast Excited-State Dynamics of Tetraphenylethylene Studied by Semiclassical Simulation, G. J. Zhao, K. L. Han, Y. B. Lei, and Y. Dou, J. Chem. Phys. 127, 094307 (2007).

12 Detailed Dynamics of the Photodissociation of Cyclobutane, Y. Dou, Y. Lei, A. Li, Z. Wen, B. R. Torralva, G.V. Lo, and R. E. Allen, J .Phys .Chem. A, 111, 1133 (2007).

13 Effect of C-C-C Bond Bending on Photodissociation of Cyclobutane, Y. Dou, Y. Lei, A. Li, Z. Wen , Y. Wang, G.V. Lo, and R. E. Allen, Appl. Surf. Sci, 253, 6400 (2007).

14 Ring Opening Reaction of 1,3-Cyclohexadiene Studied By Semiclassical Dynamics Simulation, Y. Dou, S. Yuan, G. V. Lo, Appl. Surf. Sci, 253, 6404 (2007).

15 Potential Energy Curves for the , , and states of C2 using MRCI and approximate CI methods, Anyang Li, Yubin Wang, Yusheng Dou, Zhenyi Wen, Science in China Series B, 50, 614 (2007).

16 Femtosecond-Scale of Photodissociation of Benzene, P. Sauer, R. H. Xie, Y. Dou, B. R. Torralva and R. E. Allen, J. Mod. Optic., 52, 2423 (2005).

17 Desolvation of Enkephalin-H2O Clusters Ejected from a Heated Film, Y. Dou, Chem. Phys. Lett, 416, 336 (2005).

18 The two electron molecular bond revisited: From Bohr Orbits to Two Center Orbitals, G. Chen, S. A. Chin, Y. Dou, K. A. Kapale, M. Kim, A. A. Svidzinsky, K. Urtekin, H. Xiong, M. O. Scully, Advances in Atomic, Molecular and Optical Physics, 51, 93 (2005).

19 Semiclassical Quantum Simulation for Laser Induced Molecular Dynamics,Y. Dou, Recent Res. Devel. Physical Chem., Transworld Research Network, Trivandrum, India, 2004, 7, 185-206.

20 Response of Si and InSb to Ultrafast Laser Pulses, T. Dumitrica, A. Burzo,Y. Dou, and R. E. Allen, Physic Status Solidi B, 241, 2331 (2004).

21 Molecular Calculations with Two-Center Correlated Orbitals, M. O. Scully, R. E. Allen, Y. Dou, K. T. Kapale, M. Kim and G. Chen, Chem. Phys. Lett. 389, 385 (2004).

22 Dynamics of Photocyclization of Cis-Stilbene to Dihydrophenanthrene, Y. Dou and R. E. Roland, J. Mod. Optic., 51, 2495 (2004).

23 Interplay of Electronic and Nuclear Degrees of Freedom in a Femtosecond-Scale Photochemical Reaction, Y. Dou and R. E. Allen, Chem. Phys. Lett., 392, 352, (2004).

24 Detailed Dynamics of a Complex Photochemical Reaction: Cis-Trans Photoisomerization of Stilbene, Y. Dou and R. E. Allen, J. Chem. Phys. 119, 10658 (2003).

25 Detailed Mechanism for Trans-Cis Photoisomerization of Butadiene Following a Femtosecond-Scale Laser Pulse, Y. Dou, B. R. Torralva and R. E. Allen, J. Phys. Chem. A. 107, 8817 (2003).

26 Semiclassical Electron-Radiation-Ion Dynamics (SERID) and Cis-Trans Photoisomerization of Butadiene, Y. Dou, B. R. Torralva and R. E. Allen, J. Mod. Optic., 50, 2615 (2003).

27 Another Important Coordinate in Photoisomerization of Trans-Stilbene, Y. Dou and R. E. Roland, Chem. Phys. Lett. 378, 323 (2003).

28 Laser Desorption Imaging of Proteins from Ice via UV Femtosecond Laser Pulses, J. I. Berry, S. Sun, Y. Dou and N. Winograd, Anal. Chem. 75, 5146 (2003).

29 Substrate-Assisted Laser-Initiated Ejection of Proteins Embedded in Water Film, Y. Dou, N. Winograd, B. J. Garrison and L. V. Zhigilei, J. Phys. Chem. B 107, 2362 (2003).

30 Explosive Boiling of Water Films Adjacent to Heated Surfaces: A Microscopic Description, Y. Dou, L. V. Zhigilei, N. Winograd and B. J. Garrison, J. Phys. Chem. A 105, 2748 (2001).

31 Desorption of Silver Atoms from Benzene-Covered Ag(111) by Energetic Ar+ Bombardment, C. A. Messerole, E.Vandeweert, Y. Dou, Z. Postawa, B. J. Garrison, and N. Winograd, Nucl. Instrum. Meth. B 180, 53 (2001).

32 Thickness Effects of Water Overlayer on Its Explosive Evaporation at Heated Metal Surfaces, Y. Dou, L. V. Zhigilei, Z. Postawa, N. Winograd and B. J. Garrison, Nucl. Instrum. Meth. B 180, 105 (2001).

33 Environment-Dependent Desorption of Benzene Molecules, C. A. Messerole, E.Vandeweert, Y. Dou, Z. Postawa and N. Winograd, Resonance Ionization Spectroscopy 2000, American Institute of Physics Conference, Series Number 584, 2000, p197.

34 Photoemission and STM Study of the Electronic Structure of Nb-Doped TiO2, D. Morris, Y. Dou, J. Rebane, C. E. J. Mitchell, R. G. Egdell, D. S. L. Law, A. Vittadini and M. Casarin, Phys. Rev. B 61, 13445 (2000).

35 State-Selective Energy and Angular Resolved Detection of Neutral Species Ejected from KeV Ion Bombarded C6H6/Ag{111}, E. Vandeweert, C. A. Meserole, A. Sostarecz, Y. Dou, N, Winograd and Z. Postawa, Nucl. Instrum. Meth. B 161-165, 820 (2000).

36 An Experimental and Theoretical Investigation of the Electronic Structure of CdO, Y. Dou, R. G. Egdell, D. S. Law, G. Beamson, N. M. Harrison and B. G. Searle, J. Phys.: Condens. Mat. 10, 8447 (1998).

37 N-type Doping in CdO Ceramics: A Study by EELS and Photoemission Spectroscopy, Y. Dou, R. G. Egdell, T. Walker, D. S. L. Law and G. Beamson, Surface Science 398, 241 (1988).

38 The Nature of Bandgap States in V-doped TiO2: A Study by Resonant Photoemission, Phys. Rev. B 55, 16083 (1997).

39 Bandgap Shrinkage in n-Type Doped CdO Probed by Photoemission Spectroscopy, Y. Dou, T. Fishlock. R. G. Egdell, D. S. L. Law and G. Beamson, Phys. Rev. B (Rapid Communication) 55, R13381 (1997).

40 The Surface Properties of Cd2SnO4 Ceramics Doped with Both In and Sb: A Study by EELS and Photoemission Spectroscopy, Y. Dou and R. G. Egdell, Surface Science 377-379, 181 (1997).

41 Bandgap States at Reduced WO3(001) Surfaces: A Comparison Between STS and Resonant Photoemission, R.A. Dixon,D. Morris, J. Williams, J. Rebane, Y. Dou, F.H. Jones, R.G. Egdell and S.W. Downes, Book of Extended Abstracts, S. Raaen and J. Bremer (Eds.) 1997, p. 110.

42 The Surface Properties of Indium Doped Cd2SnO4 Ceramics, A Study by EELS and Photoemission Spectroscopy, Y. Dou and R. G. Egdell, Surface Science 372, 289 (1997).

43 EELS and Photoemission Study of Antimony-Doped Cd2SnO4 Ceramics, Y. Dou and R. G. Egdell, J. Mater. Chem. 6 1369 (1996).

44 N-Type Doping in Cd2SnO4: A Study by EELS and Photoemission Spectroscopy, Y. Dou and R. G. Egdell, Phys. Rev. B 53 15405 (1996).

45 Molecular-Based Mixed Valence Ferrimagnets (XR4)FeIIFeIII(C2O4)3(X = N,P;

R = n-propyl, n-butyl, phenyl): Anomalous Negative Magnetisation in the Tetra-n-butylammonium Derivative, Corine Mathoniere, Simon G. Carling, Dou Yusheng and Peter Day, J. Chem. Soc. Chem. Comm., 1551, 1994.

46 The Electronic Energy Levels of d3 configuration in C2v Symmetry Field and Analysis of Electronic Spectra of Co Ion, Dou Yusheng, Wen Zhenyi and Chang Di, Acta Chimica Sinica 49, 665 (1991).

47 The Parameters of Angular Overlap Model, Dou Yusheng and Zhao Yuqing, Huaxue TongBao (Chemistry) (11), 47 (1991).

48 Equations for Calculating Dq and B, Dou Yusheng, J. Chem. Educ. 67, 134 (1990).

49 Calculation of Ligand Field Stabilisation Energy, Zhao Yuqing and Dou Yusheng, Huaxue TongBao (Chemistry) (2), 39 (1990).

50 A New Approach of Constructing the Term Function of dn System, Yao Xiaoyi, Chang Di, Dou Yusheng and Wen Zhenyi, Chinese Journal of atomic and Molecular Physics 7, 1366 (1990).

51 A Strong Field Approach to Electronic Spectra of Co(II) Complexes, Chang Di, Dou Yusheng and Wen Zhenyi, Chemical Research and Application 2, 66 (1990).

52 A Strong Field Approach to Electronic Spectra of Pseudo-tetrahedral Co(II) Complexes, Dou Yusheng, Chang Di and Wen Zhenyi, Journal of Inorganic Chemistry6, 468 (1990).

53 The Study on the Rate and Mechanism of Extraction of Nd(III) by BPMPSD with Single Drop Method, Hu Yingxi, Dou Yusheng and Chen Peihang, Journal of Northwest University 20, 181 (1990).

54 The Kinetics of Cu(II) by HDEHP, Hu Yingxi, Dou Yusheng and Chen Peihang, Journal of Northwest University 20, 187 (1990).

55 Metal Complexes of Pyrazole Species (III), Zhao Jianshe, Ren Youxian, Liu Yuanfa and Dou Yusheng, Journal of Northwest University 20, 185 (1990).

56 Derivation of Ligand Field Function for Arbitrary Symmetry by Using the Angular Overlap Model, Dou Yusheng and Wen Zhenyi, Huaxue TongBao (Chemistry) (2), 43 (1989).

57 The Unitary Group Approach (UGA) to the Weak Field Model (f n ions), Wen Zhenyi, Wang Yubin, Dou Yusheng and Liu Chaomeng, Journal of Northwest University19, 1 (1989).

58 Symmetry Functions Adapted to the Subgroup Chain U(7)ÊG2ÊSO(3)ÊG, Wen Zhenyi, Wang Yubin, Dou Yusheng and Liu Chaomeng, Theoretica Chimica Acta 76, 26 (1989). (SCI IDS Number: AZ646; Times Cited: 0)

59 AOM Analysis on Ligand Field Spectra of the Pyazole Species Complexes of Pseudo-Tetrahedral Co(II) ( C2v), Dou Yusheng, Ren Youxian, Zhao Jianshe and Liu Yuanfa, Chemical Journal of Chinese Universities 10, 1156 (1989).

60 Unitary Group Calculation and Program for Strong Field Approach, Dou Yusheng, Wen Zhenyi, Liu Chaomeng, Wang Yubin and Chang Di, Chemical Journal of Chinese Universities 10, 1229 (1989).

61 Comparison of Two Methods of Constructing Symmetry Adapted Wave Functions for d-orbitals, Liu Chaomeng, Dou Yusheng and Wen Zhenyi, Journal of Northwest University 18, 1 (1988).

62 Application of Angular Overlap Model (II). Microcomputer Program for Calculating Magnetic Property of Transition Metal Compounds, Dou Yusheng, Qin Zibin and Liu Chaomeng, Journal of Northwest University 18, 84 (1988).

63 The Unitary Group Approach (UGA) to the Weak Field Model (d n ions), Wen Zhenyi, Wang Yubin, Dou Yusheng and Liu Chaomeng, Acta Physico-Chimica Sinica 4, 566 (1988).

64 A Simple Method of Deriving the Relative Energy Energy of d-orbitals in Transition Metal Compounds, Dou Yusheng and Zhao Yuqing, Huaxue TongBao (Chemistry) (11), 44 (1987).

65 Application of Angular Overlap Model (I). Microcomputer Program for Calculating Electronic Spectra of Transition Metal Compounds, Dou Yusheng and Qin Zibin, Journal of Inorganic Chemistry (in Chinese) 3, 143 (1987).