毕思玮教授简介

发布时间:2010-11-08文章来源: 浏览次数:

 

 

毕思玮男,理学博士、教授,博士生导师,课题组长。2006-2017年化学与化工学院副院长。自2015年起,被聘为曲阜师范大学特聘教授,享受二级教授待遇。"九三"学社社员,济宁市政协委员。1996年破格晋升副教授,2000年破格晋升教授;2002年获山东大学理学博士学位、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。

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。主讲的《金属有机化学》(Organometallic Chemistry)被评为山东省省级双语教学示范课程、曲阜师范大学教学名师、曲阜师范大学教学比赛获二等奖、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, 2018年曲阜师范大学师德先进个人,获得 “2019曲园最美教师称号。

科研方面主要研究方向为理论与计算化学/金属有机催化理论研究/计算有机化学。在 J. Am. Chem. Soc.;Angew Chem. Int. Edit.;ACS Catalysis;Org. Lett.;Organometallics;J. Org. Chem.; Dalton Trans. 等杂志发表论文180余篇。Nature Communications;Chemcal Science; ACS Catalysis;Organometallics;J. Org. Chem.;J. Phys. Chem. 等杂志稿件审稿人。国家优秀青年科学基金、国家自然科学基金等项目评审专家。


近年来主持的科研项目: 

1) 曲阜师范大学科研创新团队 (2012.01-2016.12)

       功能材料制备及催化性能研究(80.0万)
       2) 国家自然科学基金面上项目 (2012.1-2015.12) 
              生物质中双醇多醇催化转化为有机化学品理论研究(21173126)(61.0万)
       3) 国家自然科学基金面上项目 (2015.1-2018.12)
              金催化中的“银效应”理论研究(21473100)(85.0万
       4)
国家自然科学基金面上项目 (2019.1-2022.12)  
     基于过渡金属催化的氧化偶联反应理论研究
(21873055)(直接经费 66.0 

    Email:siweibi@126.com,Mobile phone: 13853746301, QQ: 369589583, 微信号:b369589583


晋升教授以来发表的论文:  

  1.     2020:    

  2. 138. Xian-Ai Yuan

  3. 137. Baoping Ling

  4. 136.Yuxia Liu,* Kaifeng Wang, Baoping Ling, Guang Chen, Yulin Li, Lingjun Liu* and Siwei Bi*
    “Theoretical elucidation of the multi-functional synthetic methodology for switchable NiIJ0)-catalyzed C–H allylations, alkenylations and dienylations with allenes”
    Catal. Sci. & Tech. 10: 4219-4228 (2020)
    (国家自然科学基金21873055资助)

  5. 135. Jing Zhang*, Lingli Han, Siwei Bi*, Tao Liu*
    "Distinct roles of Ag(I) and Cu(II) as cocatalyst to achieve positional selective C-H alkenylation of isoxazoles: A theoretical investigation"
    J. Org. Chem.
    85: 8387-8396 (2020)

    (国家自然科学基金21873055资助)

  6. 134. Ling Zhu, Lingjun Liu, Yuan-Ye Jiang*, Peng Liu, Xia Fan, Qi Zhang, Yulei Zhao, Siwei Bi*
    "Mechanism and Origin of Ligand-Controlled Chemo- and Regioselectivities in Palladium-Catalyzed Methoxycarbonylation of Alktnes"
    J. Org. Chem. 85: 7136-7151 (2020)

    (国家自然科学基金21873055资助)

  7. 133. Tian-Tian Liu, Shi-Ya Tang, Bing Hu, Peng Liu, Siwei Bi* and Yuan-Ye Jiang*
    “Mechanism and Origin of Chemoselectivity of Ru-Catalyzed CrossCoupling of Secondary Alcohols to β‑Disubstituted Ketones”

    J. Org. Chem. 2020, 85: 12444-12455 (2020)
    (国家自然科学基金21873055资助)

  8. 132. Ping Wang, Jing Zhang, Lingli Han*, Siwei Bi,* Tao Liu*

    "Substituent-dependent generation of tricyclic frameworks by the rhodium-catalyzed cycloisomerization of homopropargyl allene-alkynes: a theoretical study"

    Dalton Transactions 49:7406-7419 (2020)

    (国家自然科学基金21873055资助)

  9. 131. Jin Feng*, Dapeng Zhang, Jiawei Li, Siwei Bi*, Yuchen Ma*

    "Graphitic carbon nitride nanodots: electronic structure and its influence factors"

    J Mater Sci 55: 5488-5498 (2020)

    (国家自然科学基金21873055资助)

  10. 130. Yichun Chu, Siwei Bi*, Xiaohan Wu, YuanYe Jiang, Yuxia Liu, Baoping Ling, Xiang-Ai Yuan
    “Mechanism, bonding nature of metal-nitrenoid, and selectivity for a nitrene-participating three-component carboamination of dienes: A DFT study”
    Molecular Catalysis 497: 111222 (2020)
    (国家自然科学基金21873055资助)

  11. 129. Xiaohan Wu, Siwei Bi*, Yichun Chu, Yuxia Liu, Yuan-Ye Jiang, Baoping Ling, Xiang-Ai Yuan
    “Mechanism of Rh(III)-catalyzed alkylation of N-pyrimidylindoline with cyclopropanols: A DFT study”
    Molecular Catalysis 498: 111255 (2020)
    (国家自然科学基金21873055资助)

  12. 128. Kaifeng Wang, Yuxia Liu,* Qiao Wu, Lingjun Liu, Yulin Li, Tony D. James, Guang Chen, Siwei Bi*
    "Mechanistic insights into the origin of substituent-directed product Z–E selectivity for gold-catalyzed [4+1]-annulations of 1,4-diyn-3-ols with isoxazoles: A DFT study"
    Molecular Catalysis 480: 110647 (2020)
    (国家自然科学基金21473100资助)

  13. 127. Jiarong Wang, Baoping Ling*, Peng Liu, Yuxia Liu, Yuan-Ye Jiang, Siwei Bi*
    "DFT Study on the Mechanism of the Iridium-Catalyzed Benzylamine Ortho C-H Alkenylation with Ethyl Acrylate"
    ACS Omega. 5: 715446-15453 
    (2020)
    (国家自然科学基金21873055资助)

  14. 126. Guizhi Li, Siwei Bi
    "Substituent-controlled C-N coupling involved in Rh(III)-catalyzed oxidative [3+2] annulation of 2-acetyl-1-arylhydrazines with maleimides: A DFT study"
    J. Organomet. Chem. 927: 121539 (2020)
    (国家自然科学基金21873055资助)


  15. 2019:
    125. Yuan-Ye Jiang*, Guoqing Li, Daoshan Yang*, Zhaoshun Zhang, Ling Zhu, Xia Fan,
    Siwei Bi*
    “Mechanism of Cu-Catalyzed Aerobic C(CO)−CH3 Bond Cleavage to Aldehyde: A Combined Computational and Experimental Study”
    ACS Catalysis 9: 1066−1080 (2019)
    (国家自然科学基金21473100, 21873055资助)

  16. 124  Ji-Ren Liu, Ye-Qing Duan, Shuo-Qing Zhang, Yuan-Ye Jiang*, Si-Wei Bi*, Xin Hong* 

  17. "C–H Acidity and Arene Nucleophilicity as Orthogonal Control of Chemoselectivity in Dual C–H Bond Activation"
    Org. Lett.  
    21: 2360−2364 (2019)

    (国家自然科学基金21873055资助).

  18. 123. Ran Meng, Siwei Bi*, Yuan-Ye Jiang, Yuxia Liu  
    "C
    -H Activation vs Ring-Opening and Inner- vs Outer-Sphere CMD in Rh(III)-Catalyzed Oxidative Coupling of Oxime Ether and Cyclopropanol. A DFT Study"
    J. Org. Chem.  84: 11150-11160 (2019)

    (国家自然科学基金21873055资助)

  19. 122. Xia Fan , Yuan-Ye Jiang*, Ling Zhu , Qi Zhang , Siwei Bi*
    "Mechanism and Origin of Stereoselectivity of Pd-Catalyzed Cascade Annulation of Aryl Halide, Alkene and Carbon Monoxide via C−H Activation"
    J. Org. Chem.84: 4353−4362 (2019)
    (国家自然科学基金21873055资助)

  20. 121. Baoping Ling,* Yuxia Liu, Yuan-Ye Jiang, Peng Liu, Siwei Bi*
    "Mechanistic Insights into the Ruthenium-Catalyzed [4+1] Annulation of Benzamides and Propargyl Alcohols by DFT Studies"
    Organometallics 38: 1877−1886 (2019)
    (国家自然科学基金21873055资助)

  21. 120.  Kang Lv, Yuanye Jiang, Lingli Han*, Tao Liu*, Siwei Bi*

    "Theoretical study on the base-controlled selective linear or branched orthoalkylation of azines catalyzed by rhodium: Mechanisms and the role of base"
    Molecular Catalysis 462: 77–84
     (2019)
    (国家自然科学基金21473100资助)

  22. 119. Ben Hu, Yuan-Ye Jiang*, Peng Liu, Rui-Xue Zhang, Qi Zhang, Tian-Tian Liu and Siwei Bi* 
    "The mechanism and structure–activity relationship of amide bond formation by silane derivatives: a computational study"
    Org. Biomol. Chem.  17: 9232-9242 (2019).
    (国家自然科学基金21873055资助)

  23. 118. Yuan-Ye Jiang,* Ling Zhu, Xia Fan, Qi Zhang, Ya-Jie Fu, He Li, Bing Hu and Siwei Bi*
    “Computational Study on H2S Release and Amide Formation from Thionoesters and Cysteine”
    Org. Biomol. Chem. 17: 5771−5778
     (2019).
    (国家自然科学基金21873055资助)

  24. 117. Yuxia Liu,* Peng Liu, Baoping Ling, Guang Chen, Tao Chen, Yulin Li, Siwei Bi*, and Dongju Zhang*
    “Mechanistic Investigation of Au(III)-Catalyzed Cycloisomerizations of N-Propargylcarboxamides”
    Eur. J. Org. Chem. 6822-6829 (2019). 
    (国家自然科学基金21473100资助)

  25. 116. Baoping Ling, Yuan-Ye Jiang, Yuxia Liu, Peng Liu, Rutao Liu*, Siwei Bi*
    "Mechanism and Stereospecificity of Z-enamide synthesis from Salicylaldehydes with Isoxazoles using DFT Calculations"
    J. Organomet. Chem. 903: 120981-120987 (2019).
    (国家自然科学基金21873055资助)

  26. 115. Siwie Bi*, Yueyue Wang, Yuanye Jiang, Yuxia Liu
    “Theoretical study on the intramolecular oxyamination involved in Rh(III)-catalyzed cyclization of unsaturated alkoxyamines
    J. Organomet. Chem. 880: 253−260 (2019).
    (国家自然科学基金21473100, 21873055资助)

  27. 2018:

  28. 114 Ce Liu, Yujie Liang, Nian Zheng, Bo-Sheng Zhang, Yuan Feng, Siwei Bi*,  Yong-Min Liang* 
    "SN2 versus Pd(IV): Synthesis of Indolines via Palladium/Norbornene-Catalyzed Reaction of Aziridines with Aryl Iodides"
    Chem. Commun. 54: 3407-3410
    (2018)
    (国家自然科学基金21473100资助)

  29. 113. Guojing Pei, Yuxia Liu*, Guang Chen, Xiangai Yuan, Yuan-Ye Jiang, Siwei Bi*
    "Unveiling the Mechanisms and Secrets of Chemoselectivities in Au(I)-Catalyzed Diazo-Based Couplings with Aryl Unsaturated Aliphatic Alcohols"
    Catal. Sci. Tech. 8: 4450-4462 (2018)
    (国家自然科学基金21473100资助)

  30. 112. Yuan-Ye Jiang*, Tian-Tian Liu, Rui-Xue Zhang, Zhong-Yan Xu, Xue Sun, Siwei Bi*
    "Mechanism and Rate-determining Factors of Amide Bond Formation through 1,3-Acyl Transfer of in-situ Generated Mixed Anhydrides"
    J. Org. Chem. 83: 2676-2685 (2018)
    (国家自然科学基金21473100资助)

  31. 111. Lingjun Liu, Guojing Pei, Peng Liu, Baoping Ling, Yuxia Liu*, Siwei Bi*
    "Mechanistic Unveiling into C=C Double-Bond Rotation and Origins of Regioselectivity and Products E/Z Selectivity of Pd-Catalyzed Olefinic C-H Functionalization of (E)-N-Methoxy Cinnamamide"
    J. Org. Chem. 83: 2067-2076 (2018)
    (国家自然科学基金21473100资助)

  32. 110.  Yueyue Wang, Baoping Ling, Peng Liu*, Siwei Bi*
    "A Reaction Mechanism for Gold-Catalyzed Hydroamination/Cyclization of o‑Phenylendiamine and Propargylic Alcohols. A DFT Study"
    Organometallics  37: 3035−3044 (2018)
    (国家自然科学基金21473100资助)

  33. 109.  Ling Zhu, Yuan-Ye Jiang,* Xia Fan, Peng Liu, Bao-Ping Ling, Siwei Bi*
    "Mechanism of Palladium-Catalyzed Alkylation of Aryl Halides with Alkyl Halides through C−H Activation: A Computational Study"
    Organometallics 37: 2222−2231 (2018)
    (国家自然科学基金21473100资助)

  34. 108.  Yuan-Ye Jiang,* Tian-Tian Liu, Xue Sun, Zhong-Yan Xu, Xia Fan, Ling Zhu and Siwei Bi*
    Computational study of the mechanism of amide bond formation via CS2-releasing 1,3-acyl transfer
    Org. Biomol. Chem. 16: 5808−5815 (2018)
    (国家自然科学基金21473100资助)
    109. 

  35. 107.  Yuxia Liu*, Guojing Pei, Jiayong Wang, Lingjun Liu, Dongju Zhang*, Siwei Bi*
    "Mechanistic Exploration of CpRe(CO)3-Catalyzed Coupling of Chloromethyloxirane with CO2: Unexpected Potentials of CO Ligands"
    Molecular Catalysis
    458:25–32 (2018)
    (国家自然科学基金21473100资助)

  36. 106.  Yuan-Ye Jiang*, Ting Yin, Ben Hu, Yu-Min Zhou, Zhong-Yan Xu, Xiaoping Li, Siwei Bi*
    “Boron-Ester-Catalyzed Amidation of Carboxylic Acids with Amines: Mechanistic Rationale by Computational Study
    Chem. Asian J. 13: 2685−2690 (2018)
    (国家自然科学基金21473100资助)

  37. 105. Jing Shi, Siwei Bi*, Yuan-Ye Jiang, Yuxia Liu, Baoping Ling, Xiang-Ai yuan
    “A DFT mechanistic study on gold(I)-catalyzed cascade reaction of aminaloalkynes involving Petasis-Ferrier cyclizations”
    J. Organomet. Chem.  864: 136-142 (2018).  (invited)
    (国家自然科学基金21473100资助)
     

  38.  104. Siwei Bi*, Peng Liu, Baoping Ling, Xiangai Yuan, Yuanye Jiang*
    "Mechanism of N-to-S acyl transfer of N-(2-hydroxybenzyl) cysteine derivatives and origin of phenol acceleration effect"
    Chin. Chem. Lett. 
    29: 1264-1268 (2018).  (invited)
    (国家自然科学基金21473100资助)  

  39. 2017:

  40. 103. Yuxia Liu, Yanan Tang, Yuan-Ye Jiang, Xiaomin Zhang, Ping Li and Siwei Bi*
    Mechanism and Origin of Et2Al(OEt)-Induced Selectivity of Nickel-Catalyzed Three-Component Coupling of One Diketene and Two Alkynes”
    ACS Catalysis 7: 1886-1896 (2017).  (IF: 10.614)
    (国家自然科学基金21473100资助)

  41. 102. Yuan-Ye Jiang*, Ling Zhu, Yujie Liang, Xiaoping Man, Siwei Bi*
    "Mechanism of Amide Bond Formation from Carboxylic Acids and Amines Promoted by 9-Silafluorenyl Dichloride Derivatives"
    J. Org. Chem.
    82 (17): 9087–9096 (2017)
    (国家自然科学基金21473100资助)

  42. 101. 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. 82 (2): 1064–1072 (2017)
    (国家自然科学基金21473100资助)

  43. 100. Xiaomin Zhang, Yuxia Liu,* Guang Chen, Xiaoping Li and Siwei Bi*
    Theoretical Insight into C(sp3)-F Bond Activations and Origins of Chemo- and Regioselectivities of “Tunable” Nickel-Mediated/Catalyzed Couplings of 2-Trifluoromethyl-1-alkenes with Alkynes”
    Organometallics 36(19): 3739-3749 (2017)

     (国家自然科学基金21473100资助)

  44. 99. Xiaoping Man, Yuan-Ye Jiang, Yuxia Liu and Siwei Bi*
    “Theoretical Study on Platinum-Catalyzed Domino Reaction of Benziodoxole and Pyrrole Homopropargylic Ethers”
    Organometallics  36(15): 2845-2852 (2017)
    (国家自然科学基金21473100资助)

  45. 98. Yujie Liang, Siwei Bi*, Yuan-Ye Jiang and Yuxia Liu
    Mechanism of Pd-Catalyzed Acylation/Alkenylation of Aryl Iodide: A DFT Study
    Org. Biomol. Chem. 15: 6147-6156 (2017)
    (国家自然科学基金21473100资助)

  46. 97. Yan Zhao, Shengli Zou, Yuan-Ye Jiang, Siwei Bi*
    "Theoretical study for the Cl-initiated atmospheric oxidation of methyl isopropenyl ketone"
    RSC advances 7: 52801-52811 (2017)
    (国家自然科学基金21473100资助)

  47. 96 Yuan-Ye Jiang*, Ling Zhu , Xiaoping Man, Yujie Liang and Siwei Bi*
    “Mechanism of Trifluoroacetic-Acid-Promoted N-to-S Acyl Transfer of Enamides”
    Tetrahedron 73:4380-4386  (2017).
    (国家自然科学基金21473100资助)
     

  48. 95. 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. 827: 56-66 (2017). 
    (国家自然科学基金21473100资助)

  49. 94. Chiming Wang, Xin Chen, Dongdong Qi*, Siwei Bi*, Jianzhuang Jiang*.
    Unraveling the formation mechanism of subphthalocyanine. Density functional theory studies”
    Inorg. Chem. Commun. 85: 9-15 (2017).
      

  50. 2016:

  51. 93. 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)

  52. 92. 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)

  53. 91. 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)

  54. 90. Yuan-Ye Jiang,* Xiaoping Man & Siwei Bi *
    Advances in Theoretical Study on Transition-Metal-Catalyzed C−H Activation”
    Sci China Chem  59(11): 1448-1466 (2016).  (an invited review) 
    (国家自然科学基金21473100资助)
     

  55. 89. 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)

  56. 88. 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)

  57. 87. 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)

  58. 86. 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)

  59. 85. 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)

  60. 84. 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)

  61.  83. 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)

  62. 2015:

  63. 82. 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)

  64. 81. 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)

  65. 80. 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)

  66. 79. 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)

  67. 78. Weirong Wu, Siwei Bi,* Yuxia Liu, Yanan Tang, Bingwen Li

  68. 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)

  69. 77. 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).

  70. 2014:

  71. 76. 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)

  72. 75. 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)
     

  73. 74. 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) 
     

  74. 73. 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)

  75. 72. 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)

  76. 71. 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).

  77. 70. 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).  

  78. 2013:

  79. 69. 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)

  80. 68. 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)

  81. 67. 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)

  82. 66. *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)

  83. 65. *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.

  84. 2012:

  85. 64. 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)

  86. 63. 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)
     

  87. 62. 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)

  88. 61. 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)

  89. 60. 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).

  90. 59. 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)
     

  91. 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)
     

  92. 57. 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)

  93. 56. 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)

  94. 2011:

  95. 55. 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),

  96. 54. 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).

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

  98. 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).

  99. 51.  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).

  100. 50. 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).

  101. 2010:

  102. 49. 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).

  103. 48. 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).

  104. 47. 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).

  105. 46. 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).

  106. 45. 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).

  107. 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).

  108. 43. 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).

  109. 42. 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)

  110. 41. 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)

  111. 40. 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).

  112. 2009:

  113. 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).

  114. 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).

  115. 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).

  116. 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).

  117. 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).

  118. 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).  

  119. 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).

  120. 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)

  121. 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).

  122. 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).

  123. 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).

  124. 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).

  125. 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).  

  126. 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).

  127. 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).

  128. 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).

  129. 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

  130. 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

  131. 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)

  132. 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).

  133. 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).

  134. 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).

  135. 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).  

  136. 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).

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

  138. 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). 

  139. 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).

  140. 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).

  141. 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).

  142. 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).  

  143. 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).  

  144. 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).

  145. 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).

  146. 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).

  147. 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).

  148. 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).

  149. 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).

  150. 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).

 

 

 

 


                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             

 

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