生物质中双醇多醇催化转化为有机化学品理论研究

21173126
2011
B0301.化学理论与方法
毕思玮
面上项目
教授
曲阜师范大学
61万元
生物质;分子催化过程;双醇;铼催化剂;多醇
2012-01-01到2015-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 Understanding the reactions of aryl iodides with alkynesto give new C-C and C-I bonds: a DFT study 期刊论文 Siwei Bi|Hongliang Wang|Yuxia Liu|Xu Yang|
2 Mechanism of the MeReO3？Catalyzed Deoxygenation of Epoxides 期刊论文 毕思玮|
3 New insight into the formation mechanism of PCDD/Fs from 2-chlorophenol precursor. 期刊论文 Zhang, Dongju|Han, Zhe|Zhan, Jinhua|Liu, Chengbu|
4 Theoretical Study on Pd-Catalyzed Reaction of ArylIodide with Unsymmetrical Alkyne 期刊论文 Siwei Bi|Yuxia Liu|Congcong Liu|Haosheng Liang|
5 Theoretical Studies on a New Class of C-C Bond Formation: Palladium-Catalyzed Reactions of alpha-Diazocarbonyl Compounds with Allylic Esters 期刊论文 Wang, Hongliang|Yang, Xu|Liu, Yuxia|Bi, Siwei|
6 Theoretical investigations on the interactions of glucokinase regulatoryprotein with fructose phosphates 期刊论文 Baoping Ling|Xueyuan Yan|Min Sun|Siwei Bi|
7 Insight into the Regioselectivity on Cu-Catalyzed Silacarboxylation of Internal Alkynes: a DFT Study 期刊论文 Yi zhao|Jin zhou|Siwei Bi*|Shuping Zhuo*|
8 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 期刊论文 毕思玮|
9 Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study 期刊论文 Li, Yunling|Wang, Jing|Bi, Siwei|Li, Ping|
10 Theoretical investigation on Pt(II)- and Au(I)-mediated cycloisomerizations of propargylic 3-indoleacetate: [3 + 2]- versus [2 + 2]-cycloaddition products 期刊论文 64.Yuxia Liu, Dongju Zhang,* Siwei Bi, Chengbu Liu|
11 Mechanism of the MeReO3-Catalyzed Deoxygenation of Epoxides 期刊论文 Wang, Jiayong|Liu, Lingjun|Li, Ping|Lin, Zhenyang|
12 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 期刊论文 Siwei Bi|Yuxia Liu|Baoping Ling|Ping Li|
13 Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrocarboxylation or a hydrosilylation process ? 期刊论文 65.Yi Zhao, Yuxia Liu, Siwei Bi*, Yongjun Liu*|
14 Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper: A DFT and molecular dynamics study 期刊论文 毕思玮|
15 Molecular dynamics simulations of isoleucine-release pathway in GAF domain of N-CodY from Bacillus Subtilis 期刊论文 Sun, Min|Bi, Siwei|Jing, Zhihong|Wang, Zhiguo|
16 Theoretical Insight into the Mechanism of CO Inserting into the N-H Bond of the Iron(II) Amido Complex (dmpe)(2)Fe(H)(NH2): An Unusual Self-Promoted Reaction 期刊论文 Liu, Yuxia|Zhang, Dongju|Bi, Siwei|Liu, Chengbu|
17 Role of Acetate and Water in the Water-Assisted Pd(OAc)(2)-Catalyzed Cross-Coupling of Alkenes with N-Tosyl Hydrazones: A DFT Study 期刊论文 Bi, Siwei|Liu, Yuxia|Ling, Baoping|Li, Ping|
18 Theoretical investigation on Pt(II)- and Au(I)-mediated cycloisomerizations of propargylic 3-indoleacetate: [3+2]- versus [2+2]-cycloaddition products 期刊论文 Liu, Yuxia|Zhang, Dongju|Bi, Siwei|Liu, Chengbu|
19 Insight into Pd-catalyzedbranching cyclizations of enediyne-imides towards furo[2,3-b]pyridines: a DFTstudy 期刊论文 Siwei Bi|Yuxia Liu|Yanan Tang|Bingwen Li|
20 异腈化合物插入到配合物CpW(NO)(n-C_5H_(11))(η~3-CH_2CHCHMe)金属-碳键的反应机理 期刊论文 袁相爱|凌宝萍|孙海涛|李平|
21 Water-Assisted Proton Transfer of Cyanuric Acid 期刊论文 Huiqing Ma|Shihai Yan|Linlin Bai|Siwei Bi|
22 Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis l-alanine dehydrogenase 期刊论文 Sun, Min|Bi, Siwei|Jing, Zhihong|Liu, Yongjun|
23 Reaction Mechanisms of Isocyanide Insertion into the W-alkyl Linkage of CpW(NO)(n-C5H11)(eta(3)-CH2CHCHMe) Complex 期刊论文 Yuan Xiang-Ai|Ling Bao-Ping|Sun Hai-Tao|Li Ping|
24 Theoretical investigation on the chemoselective N-heterocycliccarbene-catalyzed cross-benzoin reactions 期刊论文 Xiang-Yang Cui|Chong-Yang Du|Ling-Li Han,|Siwei Bi|
25 Theoretical study on copper-catalyzed reaction of hydrosilane, alkyne and carbon dioxide: A hydrocarboxylation or a hydrosilylation process ? 期刊论文 Zhao, Yi|Liu, Yuxia|Bi, Siwei|Liu, Yongjun|
26 Theoretical Insight into PtCl2-Catalyzed Isomerization of Cyclopropenes to Allenes 期刊论文 Liu, Yuxia|Zhang, Dongju|Bi, Siwei|
27 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 期刊论文 Li, Zhen|Du, Aijun|Bi, Siwei|Zhao, Yan|
28 Theoretical Insight into PtCl2-Catalyzed Isomerization of Cyclopropenes to Allenes 期刊论文 毕思玮|
29 Mechanistic insight into water-modulated cycloisomerization of enynyl esters using an Au(I) catalyst 期刊论文 Xu Yang|Lingjun Liu|Hongliang Wang|Siwei Bi|
30 Theoretical Investigation on Rh(I)-Catalyzed Cycloisomerizations of 4-Allenal Species with Linked Alkyne: Ketone vs Alcohol Products 期刊论文 Tao Liu|Lingli Han|Shumin Han|Siwei Bi*|
31 Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis l-alanine dehydrogenase 期刊论文 毕思玮|
32 Theoretical Study on Cu-catalyzed Coupling of Thiol esters with Organostannane 期刊论文 Jing Sun|Yuxia Liu|Ping Li|Siwei Bi|
33 Theoretical investigation on the regioselectivity of Ni(COD)(2)-catalyzed [2+2+2] cycloaddition of unsymmetric diynes and CO2 期刊论文 Zhao, Yi|Liu, Yuxia|Bi, Siwei|Liu, Yongjun|
34 Theoretical Investigation on Rh(I)-CatalyzedCycloisomerizations of 4-Allenal Species with Linked Alkyne: Ketone vs AlcoholProducts 期刊论文 Tao Liu|Lingli Han|Shumin Han|Siwei Bi|
35 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 期刊论文 57.Yuxia Liu, Dongju Zhang*, Siwei Bi, and Chengbu Liu|
36 Theoretical Investigation of the Controlled Metathesis Reactions of Methylruthenium(II) Complexes with Terminal Acetylenes 期刊论文 Chen, Guang|Wang, Hongliang|Bi, Siwei|Zhang, Dongju|
37 Molecular dynamics simulations of mutated Mycobacterium tuberculosis l-alanine dehydrogenase to illuminate the role of key residues 期刊论文 Sun, Min|Jing, Zhihong|Li, Xiaoping|Zhang, Rui|
38 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 期刊论文 毕思玮|
39 Mechanistic insight into conjugated N–N bond cleavage byRh(III)-catalyzed redox-neutral C–H activation of pyrazolones 期刊论文 Weirong Wu|Yuxia Liu|Siwei Bi|
40 Theoretical Investigation on Rh(I)-Catalyzed Cycloisomerizations of 4-Allenal Species with Linked Alkyne: Ketone vs Alcohol Products 期刊论文 Tao Liu|Lingli Han|Shumin Han|Siwei Bi*|
41 New insight into the formation mechanism of PCDD/Fs from 2-chlorophenol precursor. 期刊论文 Zhang, Dongju|Han, Zhe|Zhan, Jinhua|Liu, Chengbu|
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