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毕思玮教授简介

信息来源: 暂无 发布日期: 2015-10-07 浏览次数: 2170

 

 

 毕思玮,男,教授、理学博士、副院长(分管科研及实验室)。2002-2004年在香港科技大学做博士后研究、2010年在香港科技大学做访问学者。主要研究方向:理论与计算化学/金属有机催化。目前主持两项国家自然科学面上项目(21173126,61.0万; 21473100,85.0万)、曲阜师范大学“功能材料制备及催化性能研究”科研创新团队负责人(80.0万)。教学方面主要从事高效双语教学研究,获山东省省级教学成果一等奖、三等奖各一项,多次获得山东高等学校优秀科研成果奖。山东省双语教学示范课程《Organometallic Chemistry》负责人、曲阜师范大学“教学名师”、曲阜师范大学“1361人才工程”人员、曲阜师范大学“物理化学教学团队”负责人、《无机化学》校级精品课程负责人、多次被评为曲阜师范大学优秀研究生指导教师。在Organometallics;Chem.Eur.J.;Inorg.Chem.;J.Phys.Chem.;Dalton Trans.;Eur.Inorg.Chem.;Chem.Phys.Lett.;J.Org.Chem.;Org.Biomol.Chem.;J.Organomet.Chem.等杂志发表论文150余篇。Acs.catalysis;Organometallics;J.Org.Chem.;J.Phys.Chem.等杂志的稿件审稿人。国家优秀青年科学基金、国家自然科学基金项目评审专家。

Emailsiweibi@126.comPhone:0537-4458308(O), Mobile phone: 13853746301  

部分论文:  

 

1. Siwei Bi, Chengbu Liu* and Changqiaio Zhang.
“Theoretical study on magnetic coupling interaction for Cu(II) binuclear systems with extended bridging groups”.
Chem. Phys. Lett., 350(5-6): 551-557 (2001).

2. Dongju Zhang, Chengbu Liu* and Siwei Bi.
“Density functional studies of the reactions of lanthanide monocations with fluoromethane: C-F bond activation and electron-transfer reactivity”.
J. Phys. Chem. A, 106(16): 4153-4157 (2002).

3. Siwei Bi, Chengbu Liu* and Haiquan Hu.
“Theoretical study on magneto-structural correlation in unsymmetrical oxamidocopper(II) complexes”.
J. Phys. Chem. B, 106 (42): 10786-10792 (2002).

4. Siwei Bi, Chengbu Liu*, Haiquan Hu and Changqiaio Zhang.
“Structural modeling and magnetostructural correlations for heterobinuclear Cu(II)-Ni(II) complex”.
Int. J. Quantum Chem., 88(3): 347 (2002).

5. 毕思玮,刘成卜*.
N-N基团为单桥的双核Cu(II) 体系磁-结构关联的理论研究”.
化学学报, 60 (8): 1390 (2002).

6. Dongju Zhang, Chengbu Liu*, Siwei Bi and Shiling Yuan.
“A comprehensive the, oretical study on the reaction of Sc+ with CnH2n+2 (n=1-3) : structure, mechanism and potential-energy surface”.
Chem. Eur. J., 9(2): 484-501 (2003).

7. You-Min Sun, Cheng-Bu Liu*, Xian-Jie Lin and Si-Wei Bi.
“Theoretical study on the magneto-structural correlation in imidazolate-bridged Cu(II) binuclear complexes”.
New J. Chem., 28(2): 270-274 (2004).

8. Siwei Bi and Chengbu Liu*.
“Theoretical study on magnetic coupling interaction in terephthalato-bridged Ni(II) binuclear systems”.
Int. J. Quantum Chem., 97(3): 802-807 (2004).

9. Xianghua Yu, Siwei Bi, Ilia A. Guzei, Zhenyang Lin*, Zi-Ling Xue*.
"Zirconium, Hafnium nd Tantalum Amide Silyl Complexes. Their Preparation and Conversion to etallaheterocyclic Complexes via Hydrogen Abstraction by Silyl Ligands".
Inorg. Chem., 43(22): 7111-7119 (2004).  

10. Peng Xue, Siwei Bi, Herman H. Y. Sung, Ian D. Williams, Zhenyang Lin* and Guochen Jia*.
“Isomerism of Ru(h3-allyl)Cl(CO)(PPh3)2".
Organometallics, 23(20): 4735-4743 (2004).  

11. Siwei Bi, Zhenyang Lin* and Richard F. Jordan*.
"Theoretical investigation of C-H/olefin oupling catalyzed by Zr(IV) complexes".
Organometallics, 23(21): 4882-4890 (2004).

12. Siwei Bi, Alireza Ariafard, Guochen Jia and Zhenyang Lin*.
"Isomerism of Transition Metal Cp-containing Allyl Complexes".
Organometallics, 24(4): 680-686 (2005).  

13. Mak-Shuen, Cheung, Hoi-Shan Chan, Siwei Bi, Zhenyang Lin*, and Zuowei Xie*.
“Fun, ctional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarbora, nes Incorporating the h7-arachn, o-Carboranyl Ligands”.
Organometallics, 24(18): 4333-4336 (2005). 

14. Alireza Ariafard, Siwei Bi, , and Zhenyang Lin*.
“Mechanism of Endo-Exo Interconversion in h3-Allyl Cp Complexes: A Longstanding Unresolved Issue”.
Organometallics, 24(10): 2241-2244 (2005).

15. 赵斌,毕思玮,尤进茂。
化学实验创新教学模式的构建与实践”.
高等师范院校化学教学改革研究(会议论文), 252255(2006.7).
陕西师范大学化学与材料科学学院

16. 毕思玮,赵斌,陈光,康淑敏。
高校双语教学探讨”.
高等师范院校化学教学改革研究(会议论文), 6164(2006.7).
陕西师范大学化学与材料科学学院

17. 赵义,王宾,朱秀芳,毕思玮*.
“[Ru(η5-C9H7){κ3(P,C,C)-PPh2(CH2CHCH2)}(PPh3)][PF6]
异构化机制理论研究”.
曲阜师范大学学报, 32(2): 76-80 (2006)

18. Xiufang Zhu, Bin Zhao, Bin Wang, Yi Zhao, Siwei Bi*.
“Theoretical study on three-membered silametallacycles toward MeOH: mechanisms on formation of ring-opening products”.
Chem. Phys. Lett., 422(1-3): 6-10 (2006).

19. Siwei Bi*, Bin Wang, Yi Zhao, Zhenwei Zhang, Shufen Zhu.
“Theoretical study on reaction of [(Ind) Rh(CO)2Me]BF4 with nbd”.
Chem. Phys. Lett., 426(1-3): 192–196 (2006).

20. Siwei Bi*, Zhenwei Zhang, Shufen Zhu.
“Oxidative Addition of Methane and Benzene C-H Bonds to Rhodium Center: a DFT Study”.
Chem. Phys. Lett., 431(4-6): 385–389 (2006).

21. Si-Wei Bi*, Yi Zhao, Bin Wang, Xiu-Fang Zhu.
“Theoretical study on the interconversion between two isomers of a Ru complex containing a hemilabile hybrid ligand”.
J. Theo. Comput. Chem. 5(4): 693-705 (2006).  

22. 毕思玮*,王宾,高一箴.
Cp*FRh(GO)2MeBF4和二环庚二烯的反应机理研究”.
无机化学学报
22(1): 13-19 (2006).

23. Siwei Bi*, Shufen Zhu, Zhenwei Zhang.
“Mechanisms of H2, H2C=CH2, and O=CH2 Insertion into Cp2Zr(h2-SiMe2=NtBu)(PMe3)”.
Eur. J. Inorg. Chem., 2007(14): 2046-2054 (2007).  

24. Siwei Bi*, Shufen Zhu, Zhenwei Zhang, Zhaodong Yuan.
Reaction mechanisms of Cp-containing silene complexes toward H2: A DFT study ”.
J. Organomet. Chem., 692(16): 3454-3460 (2007).

25. 赵斌,毕思玮,尤进茂.
大学本科化学实验创新教学模式的构建与实践
化学教育(4): 52-53 (2007).

26. 丁养军,张振伟,朱淑芬,毕思玮*.
“CpRu(PPh3)2SSiiPr3SCNR (R= Ph, 1-Naphth) 反应的结构、成键与机理理论研究”.
化学学报65(10): 943-949 (2007).  

27. 赵晓冉, 毕璇璇,孔晓健,谢清明,赵燕云,毕思玮*
“CpCl(PH3)Os(HC≡CH)
络合物中的炔基配体异构化的理论研究
曲阜师范大学学报   34(3): 79-84 (2008).

28. Siwei Bi*, Qingming Xie, Xiaoran Zhao, Yanyun Zhao, Xiaojian Kong.
Theoretical Investigation on the Mechanisms of Transfer Hydrogenation of Ketones Catalyzed by Iridium Complexes”.
J. Organomet. Chem., 693(4): 633-638 (2008).  

29. Siwei Bi*, Yanyun Zhao, Xiaojian Kong, Xiaoran Zhao, Qingming Xie.
Bonding analysis and the mechanisms on the ring-opening of alkoxy-bridged bis(silylene) transition-metal complexes toward MeOH”.
J. Organomet. Chem., 693(4): 639-645 (2008).

30. Ibraheem A. I. Mkhalid, R. Benjamin Coapes, S. Natasha Edes, David N. Coventry, Fabio E. S. Souza, Rhodri Ll. Thomas, Jonathan J. Hall, Si-Wei Bi, Zhenyang Lin* and Todd B. Marder*.
“Rhodium catalysed dehydrogenative borylation of alkenes: Vinylboronates via C–H activation”.
Dalton Trans., 2008(8) 1055-1064 (2008).   (IF: 3.212)

31. Siwei Bi*, Xiaojian Kong, Yanyun Zhao, Xiaoran Zhao, Qingming Xie.
Detailed mechanisms on insertion of cis-2-butene into the Zr-H bond of Cp2ZrH2: a DFT study”.
J. Organomet. Chem.,   693(11): 2052-2060 (2008).

32. 李平,王卫华,毕思玮,宋蕊,步宇翔*
丝氨酸蛋白酶催化三聚体类似物中质子转移的理论研究低垒氢键在酶催化中存在的可能性及其意义
中国科学 B :化学, 38 (11): 976-980 (2008).

33. Xiaojian Kong, Siwei Bi*, Xiaoran Zhao, Qingming Xie, Yanyun Zhao.
“Particular mechanisms on insertion of ethylene into Zr-H bond of Cp2ZrH2: A DFT study”.
J. Theo. Comput. Chem. 7(5): 933-941 (2008).

34. Yanyun Zhao, Xueli Cheng, Xuanxuan Bi, Siwei Bi
"DFT study on C–C bond cleavage of nitriles by a silyl(silylene)iron complex".
J. Mol. Struct. (Theochem). 869(1-3): 59-66 (2008).

35. 孔德生,吕文华,冯媛媛,毕思玮
“DSA
电极电催化性能研究进展及尚待深入探究的几个问题
化学进展, 21(6): 1107-1117 (2009).

36. Lingjun Liu, Siwei Bi*, Min Sun, Xiangai Yuan, Ning Zheng, Ping Li
"Mechanistic investigation on hydrogenation and hydrosilylation of ethylene catalyzed by rhenium nitrosyl complex"

J. Organomet. Chem., 694(20): 3343-3348 (2009).

37. Siwei Bi*, Yuxia Liu, Guan Chen, Lisheng Zhang, Min Sun, Ping Li
"Theoretical investigation on possible mechanisms and regioselectivity for formation of (
h3-siloxyallyl)tungsten complexes "
J. Organomet. Chem., 694(20): 3456-3461 (2009).

38. Li P*, Wang WH, Bi SW, Song R, Bu YX.
“Theoretical studies of the proton transfer behaviors in molecular complexes analogous to catalytic triad of serine protease: toward understanding the existence and significance of the low-barrier hydrogen-bond in enzymatic catalysis”
Science in China Series B: Chemistry, 52(2):
131-136 (2009).

39. Lingjun Liu, Siwei Bi*, Min Sun, Xiangai Yuan, Ping Li
"Bonging features and reaction mechanism of the oxidation of 2-propanol by Cp*Ir amido complex"
J. Theo. Comput. Chem. 9(1): 99-107 (2010).

40. Xiangai Yuan, Siwei Bi*, Yangjun Ding, Lingjun Liu, Sunmin, Dongdong Dong.
A DFT study on the effect of hydrogen bonding on the reaction of a µ-benzoquinone diruthenium complex with acetylene
J. Organomet. Chem.,  
695(4): 552-557 (2010).

41. 董东栋,郑宁,李海霞,范伟,曹向辉,毕思玮*
“CpCo(CO)2
与乙炔的反应机理及乙炔插入时的区位选择性研究
曲阜师范大学学报 36 (1): 78-83 (2010).

42. 赵义,董东栋,毕思玮*
“CpRu(PH3)2SH
HNCS乙炔的模型化反应机理理论探讨
物理化学学报   26(3): 745-750  (2010).

43. Li P*, Ma ZY, Wang WH, Shen ZT, Bi SW, Sun HT, Bu YX.
Coupling interactions between sulfurous acid and the hydroperoxyl radical
and implications for the formation of highly stable intermediates”
ChemPhysChem, 11(3): 696-705 (2010).

44. Xiangai Yuan, Siwei Bi*, Yangjun Ding, Lingjun Liu, Min Sun.
"DFT Study of Alkene Hydrogenation Catalyzed by Rh(acac)(CO)2"
J. Organomet. Chem.,
 695(10-11): 1576-1582, (2010).

45. Xiangai Yuan, Siwei Bi*, Lingjun Liu, Min Sun, Jiayong Wang
"Theoretical Study on Ligand Exchange Reaction Mechanisms of Iron(IV) Complexes with Two Different Group 14 Element Ligands, Cp(CO)FeH(EEt3)(E'Et3) with (HEEt3) (E, E' = Si, Ge, Sn)"
J. Organomet. Chem.,   695(12-13): 1682-1687 (2010).

46. Ping Li*, Zhitao Shen, Weihua Wang, Zhiying Ma, Siwei Bi, Haitao Sun and Yuxiang Bu*
The capture of H and OH radicals by vitamin C and implications for the new source for the formation of the anion free radical
 
Phys. Chem. Chem. Phys., 12: 5256 (2010)

47. Yuxia Liu, Dongju Zhang*, and Siwei Bi
Theoretical Investigation on the Isomerization Reaction of 4-Phenyl-hexa-1,5-enyne Catalyzed by Homogeneous Au Catalysts
J. Phys. Chem. A, , 114 (49): 12893–12899 (2010)

48. Yujun Wang*, Chunling Zhang, Siwei Bi, Guangsheng Luo
Preparation of ZnO nanoparticles using the direct precipitation method in a membrane dispersion micro-structured reactor
Powder Technology, 202(1-3): 130-136 (2010).

49. Ping Li*, Zhiying Ma, Weihua Wang, Yazhou Zhai, Haitao Sun, Siwei Bi and Yuxiang Bu*
Theoretical studies on the coupling interactions in H2SO4 HOO (H2O)n (n = 0–2) clusters: toward understanding the role of water molecules in the uptake of HOO radical by sulfuric acid aerosols
Phys. Chem. Chem. Phys., 13: 941-953 (2011),

50. Min Sun, Ning Zheng, Lingjun Liu, Ping Li, Siwei Bi*
"A DFT study on CO insertion and C-C reductive elimination involved in the carbonylation of metallacyclic zirconacenes"
J. Theo. Comput. Chem. 10(1): 9-17 (2011).

51. 王家勇,毕思玮*,赵俊凤*
(Cl-nacnac)Pt(H)端炔的反应机理
物理化学学报 27(3): 571-576 (2011).

52. Linlin Bai, Shihai Yan,* Huiqing Ma, Siwei Bi *
”Theoretical Investigation on Proton Transfer Mechanism of Hydrated Melamine”
Comput. Theor. Chem.
964(1-3): 218-233 (2011).

53. Ping Li*, Zhiying Ma, Weihua Wang*, Rui Song, Yazhou Zhai, Siwei Bi, Haitao Sun, Yuxiang Bu*
Theoretical studies on the electron capture properties of H2SO4HOO• complex and implications for the alternative source of the formation of HOOH
Phys. Chem. Chem. Phys, 13: 5931-5939 (2011).

54. Chunling Zhang, Yujun Wang*, Siwei Bi, and Guangsheng Luo
”Preparation of Mesoporous ZnO Microspheres through a Membrane-Dispersion Microstructured Reactor and a Hydrothermal Treatment”
Ind. Eng. Chem. Res., 50 (23): 13355–13361 (2011).

55. Siwei Bi*, Junfeng Zhao, Wei Fan And Ping Li
A DFT Study of CO Migratory Insertion Reactions with a New Type Group 10 Metal-Alkyl and Metal-Alkoxide Bonds”
J. Theo. Comput. Chem.   11(1): 1-17 (2012).

56. Baoping Ling, Min Sun, Siwei Bi, Zhihong Jing, Yongjun Liu*.
”Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis l-alanine dehydrogenase”
J. Mol. Graph. Model., 35: 1-10 (2012).
(国家自然科学基金21173126资助)

57. Yuxia Liu, Dongju Zhang*, Siwei Bi, and Chengbu Liu
Theoretical Insight into the Mechanism of CO Inserting into the N−H Bond of the Iron(II) Amido Complex (dmpe)2Fe(H)(NH2): An Unusual Self-Promoted Reaction
Organometallics, 31: 365-371 (2012).
(国家自然科学基金21173126资助)

58. 刘凌君,毕思玮*袁相爱 凌宝萍 孙海涛 李平
异腈化合物插入到配合物CpW(NO)(n-C5H11)(η3-CH2CHCHMe)金属-碳键的反应机理
无机化学学报 (3): 551-559 (2012)
(国家自然科学基金21173126资助)

59. Yuxia Liu, Dongju Zhang*, Siwei Bi, and Chengbu Liu
Theoretical Insight into PtCl2-Catalyzed Isomerization of Cyclopropenes to Allenes”
Organometallics, 31: 4769-4778 (2012).
(国家自然科学基金21173126资助)

60. Siwei Bi*, Jiayong Wang, Lingjun Liu, Ping Li and Zhenyang Lin*.
“Mechanism of the MeReO3-catalyzed Deoxygenation of Epoxides”
Organometallics, 31: 6139-6147 (2012).
(国家自然科学基金21173126资助)

61. Weihua Wang, Zhen Li, Qiao Sun, Aijun Du, Yunling Li, Jing Wang, Siwei Bi, Ping Li*
“Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study”
Corrosion Science, 61: 101-110 (2012)
(国家自然科学基金21173126资助)

62. Huiqing Ma, Shihai Yan*, Linlin Bai, Siwei Bi*
“Water-Assisted Proton Transfer of Cyanuric Acid“
J. Comput. Sci. & Eng. 1: 8-25 (2012)
(国家自然科学基金21173126资助)

63. Lingjun Liu, Jing Sun, Yuxia Liu, Ping Li, Siwei Bi*
“Theoretical Study on Cu-catalyzed Coupling of Thiol esters with Organostannane”

J. Phyc. Chem. A, 116: 11736-11744 (2012).
(国家自然科学基金21173126资助)

64. Yuxia Liu, Dongju Zhang,* Siwei Bi, Chengbu Liu.
Theoretical investigation on Pt(II)- and Au(I)-mediated cycloisomerizations of propargylic 3-indoleacetate: [3 + 2]- versus [2 + 2]-cycloaddition products
Org. Biomol. Chem. 11: 336-343 (2013)
(国家自然科学基金21173126资助)

65. Yi Zhao, Yuxia Liu, Siwei Bi*, Yongjun Liu*
“Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrocarboxylation or a hydrosilylation process ?”
J. Organomet. Chem. 745-746: 166-172 (2013)
(国家自然科学基金21173126资助)

66. Baoping Ling*, Min Sun, Siwei Bi, Zhihong Jing, Zhiguo Wang
“Molecular dynamics simulations of isoleucine-release pathway in GAFdomain of N-CodY from Bacillus Subtilis”
J. Mol. Graph. Mod. 44: 232–240 (2013)

67. *Li, Ping; Wang, Weihua; Sun, Qiao; Li, Zhen; Du, Aijun; Bi, Siwei; Zhao, Yan
Insights into the Mechanism of the Reaction between Tetrachloro-p-Benzoquinone and Hydrogen Peroxide and their Implications in the Catalytic Role of Water Molecules in Producing the Hydroxyl Radial
ChemPhysChem, 14(12), pp 2737-2743, 2013/8/26.
(国家自然科学基金21173126资助)

68. *Li, Ping; Wang, Weihua; Bi, Siwei; Sun, Haitao
Theoretical studies on the interaction mechanisms between tetrachloro-p-benzoquinone and hydrogen peroxide

Structural Chemistry, 24(4), pp 1253-1264, 2013/8.

69. Yi Zhao, Yuxia Liu, Siwei Bi*, Yongjun Liu*.
“Theoretical Investigation on the Regioselectivity of Ni(COD)2-Catalyzed [2+2+2] Cycloaddition of Unsymmetric Diynes and CO2
J. Organomet. Chem. 758: 45-54 (2014).
(国家自然科学基金21173126资助)

70. Hongliang Wang, Xu Yang, Yuxia Liu*, Siwei Bi*.
“Theoretical Studies on a New Class of C
-C Bond Formation: Pd-Catalyzed Reactions of a-Diazocarbonyl Compounds with Allylic Esters
Organometallics, 33: 1404-1415 (2014).
(国家自然科学基金21173126资助)

71. Baoping Ling, Siwei Bi, Min Sun, Zhihong Jing, Xiaoping Li, Rui Zhang
”Molecular dynamics simulations of mutated Mycobacterium tuberculosis l-alanine dehydrogenase to illuminate the role of key residues”
J. Mol. Graph. Mod. 50: 61–70 (2014).

72. Yuxia Liu, Guang Chen, Hongliang Wang, Siwei Bi* and Dongju Zhang*
Theoretical Investigation of the Controlled Metathesis Reactions of Methylruthenium(II) Complexes with Terminal Acetylenes
Eur. Inorg. Chem.  (15): 2502-2511 (2014).
(国家自然科学基金21173126资助)

73. Bingwen Li, Siwei Bi,* Yuxia Liu, Baoping Ling, Ping Li
"The Role of Acetate and Water Played in the Water-Assisted Pd(OAc)2-Catalyzed Cross-Coupling of Alkenes with N-Tosylhydrazones: A DFT study"
Organometallics,
33: 3453-3463 (2014).
(国家自然科学基金21173126资助)

74. Siwei Bi*, Hongliang Wang, Yuxia Liu, Xu Yang
”Understanding the reactions of aryl iodides with alkynesto give new C-C and C-I bonds: a DFT study”
Curr. Org. Chem. 18(12): 1661-1671 (2014).
(国家自然科学基金21173126资助)

75. Zhang, Linlin; *Zhu, Wancheng; Zhang, Heng; Bi, Siwei; Zhang, Qiang
Hydrothermal-thermal conversion synthesis of hierarchical porous MgO microrods as efficient adsorbents for lead(II) and chromium(VI) removal
RSC Advances, 4(58), pp 30542-30550, 2014.    

76. Tao Liu, Lingli Han, Shumin Han, Siwei Bi*
“Theoretical Investigation on Rh(I)-Catalyzed Cycloisomerizations of 4-Allenal Species with Linked Alkyne: Ketone vs Alcohol Products”
Organometallics, 34: 280-288 (
2015).
(国家自然科学基金21173126, 21473100资助)

77. Tao Liu, Shu-Min Han, Lu Wang, Xiang-Yang Cui, Chong-Yang Du, Ling-Li Han, Siwei Bi*
“Theoretical investigation on the chemoselective N-heterocyclic carbene-catalyzed cross-benzoin reactions”
Org. Biomol. Chem. 13: 3654-3661 (2015).
(国家自然科学基金21173126, 21473100资助)

78. Weirong Wu, Yuxia Liu* and Siwei Bi*
Mechanistic insight into conjugated N–N bond cleavage by Rh(III)-catalyzed redox-neutral C–H activation of pyrazolones”
Org. Biomol. Chem. 13: 8251–8260 (2015).
(国家自然科学基金21173126, 21473100资助)

79. Weirong Wu, Siwei Bi,* Yuxia Liu, Yanan Tang, Bingwen Li
Insight into Pd-catalyzed branching cyclizations of enediyne-imides towards furo[2,3-b]pyridines: a DFT study
Org. Biomol. Chem. 13: 11539–11549 (2015).
(国家自然科学基金21173126, 21473100资助)

80. Yuxia Liu, Xu Yang, Lingjun Liu, Hongliang Wang, and Siwei Bi*
Mechanistic insight into water-modulated cycloisomerization of enynyl esters using an Au(I) catalyst

Dalton Trans. 44, 5354–5363 (2015
).
(国家自然科学基金21173126, 21473100资助)

81. Jing Yan, Siwei Bi*, Dongju Zhang*, Chengbu Liu
“Theoretical description for the Rh(I)-catalyzed borylation mechanism of a typical aryl cyanide”
J. Organomet. Chem. 791:198-203 (2015).

82. Baoping Ling*, Xueyuan Yan, Min Sun, Siwei Bi*
“Theoretical investigations on the interactions of glucokinase regulatory protein with fructose phosphates”
Comput. Bio. Chem.
60: 21–31 (2016)
(国家自然科学基金21173126, 21473100资助)

83. Yanan Tang, Siwei Bi*, Yuxia Liu, Congcong Liu, Haosheng Liang, Baoping Ling
“Theoretical Study on Pd-Catalyzed Reaction of Aryl Iodide with Unsymmetrical Alkyne”

J. Organomet. Chem. 803: 134-141 (2016).
(国家自然科学基金21173126, 21473100资助)

84. Daoshan Yang, Yuxia, Liu, Pengfei Sun, Ning Zhang, Wei Wei, Mingyang, Sun, Guang Chen, Siwei Bi, and Hua Wang*
An Efficient Route to Regioselective Functionalization of Benzo[b]thiophenes via Palladium-Catalyzed Decarboxylative Heck Coupling Reactions: Insights from Experiment and Computation”
Org. Biomol. Chem. 14: 895-904 (2016).
(国家自然科学基金 21473100资助)

85. Congcong Liu, Yuxia Liu,* Yanan Tang, Haosheng Liang and Siwei Bi*
“Mechanisms and Origins of Switchable Regioselectivity of FeBr3-Catalyzed [1,2]-Aryl and [1,2]-Alkyl Shift of α-Aryl Aldehydes”
Org. Biomol. Chem. 1
4: 2522-2536 (2016).
(国家自然科学基金21173126, 21473100资助)

86. Haosheng Liang, Siwei Bi,* Yuxia Liu, Ya-nan Tang and Congcong Liu
“Theoretical Study on Au(I)-Catalyzed [2+2+2] Cycloadditions of Ynamides with Two Discrete Nitriles”

Org. Biomol. Chem. 14: 2637-2644 (2016).
(国家自然科学基金21173126, 21473100资助)

87. Tao Liu, Siwei Bi*
“Impact of Ligand and Silane on the Regioselectivity in Catalytic Aldehyde−Alkyne Reductive Couplings: A Theoretical Study”
Organometallics  35(8): 1114-1124 (2016).
(国家自然科学基金21473100资助)

88. Xiangai Yuan, Wenmin Wang, Ziqi Tian, Siwei Bi*, Jing Ma*
“Electron-Donating Groups and High Ring Strain Promoted Ring Opening of Methylenecyclopropanes Catalyzed by Rhodium and Iridium Complexes”
J. Organomet. Chem. 811: 29-39 (2016).
(国家自然科学基金21473100资助)

89. Baoping Ling*, Yuxia Liu, Xiaoping Li, Zhiguo Wang, Siwei Bi*
“Identification of the active site of human mitochondrial malonyl-coenzyme A decarboxylase: a combined computational study”
Proteins 84: 792-802 (2016).
(国家自然科学基金21173126, 21473100资助)

90. Yuan-Ye Jiang,* Xiaoping Man & Siwei Bi *
Advances in Theoretical Study on Transition-Metal-Catalyzed C−H Activation”
SCI CHINA Chem
 accepted  (invited review)
(国家自然科学基金21473100资助)

91. Yeqing Duan, Yuxia Liu, Siwei Bi*, Baoping Ling, Yuan-Ye Jiang, Peng Liu
“Theoretical Study on Gold-Catalyzed Cyclization of 2-Alkynyl-N-Propargylanilines and Rationalization of Kinetic Experimental Phenomena”
J. Org. Chem. 81: 9381-9388 (2016).
(国家自然科学基金21473100资助)

92. Tao Liu, Shumin Han, Yaping Li, Siwei Bi*
”Theoretical Insight into the Mechanisms and Regioselectivity of [4 + 3] and [4 + 1] Annulations of Enals with Azoalkenes Catalyzed by N‑Heterocyclic Carbenes”

J. Org. Chem.
81: 9775-9784 (2016).
(国家自然科学基金21473100资助)

93. Lingjun Liu, Yuxia Liu,* Baoping Ling and Siwei Bi*
”Mechanistic investigation into Et3N C-H activation and chemoselectivity by Pd-Catalyzed intramolecular heck reaction of N-Vinylacetamides”

J. Organomet. Chem. accepted
(国家自然科学基金21473100资助)

94.Yuan-Ye Jiang,* Chen Wang, Yujie Liang, Xiaoping Man, Siwei Bi,* Yao Fu*
”A Ligand-Dissociation-Involved Mechanism in Amide Formation of Monofluoroacylboronates with Hydroxylamines”
J. Org. Chem.
submitted
(国家自然科学基金21473100资助)