| 1 |
Computational study of the mechanism of amide bond formation via CS2-releasing 1,3-acyl transfer
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期刊论文 |
Yuan-Ye Jiang;Tian-Tian Liu;Xue Sun;Zhong-Yan Xu;Xia Fan;Ling Zhu;Siwei Bi |
| 2 |
Theoretical study on the intramolecular oxyamination involved in Rh(III)-catalyzed cyclization of unsaturated alkoxyamines
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期刊论文 |
Siwei Bi;Yueyue Wang;Yuan-Ye Jiang;Yuxia Liu |
| 3 |
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
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期刊论文 |
Lingjun Liu;Guojing Pei;Peng Liu;Baoping Ling;Yuxia Liu;Siwei Bi |
| 4 |
Theoretical investigations on the interactions of glucokinase regulatoryprotein with fructose phosphates
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期刊论文 |
Baoping Ling;Xueyuan Yan;Min Sun;Siwei Bi |
| 5 |
Theoretical Study on Platinum-Catalyzed Domino Reaction of Benziodoxole and Pyrrole Homopropargylic Ethers
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期刊论文 |
Xiaoping Man;Yuan-Ye Jiang;Yuxia Liu;Siwei Bi |
| 6 |
Advances in Theoretical Study on Transition-Metal-Catalyzed C−H Activation
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期刊论文 |
Yuan-Ye Jiang;Xiaoping Man;Siwei Bi |
| 7 |
Mechanism of Palladium-Catalyzed Alkylation of Aryl Halides with Alkyl Halides through C−H Activation: A Computational Study
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期刊论文 |
Ling Zhu;Yuan-Ye Jiang;Xia Fan;Peng Liu;Bao-Ping Ling;Siwei Bi |
| 8 |
Mechanistic exploration of CpRe(CO)3-catalyzed coupling of chloromethyloxirane with CO2: Unexpected potentials of CO ligands
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期刊论文 |
Yuxia Liu;Guojing Pei;Jiayong Wang;Lingjun Liu;Dongju Zhang;Siwei Bi |
| 9 |
Mechanistic insight into water-modulated cycloisomerization of enynyl esters using an Au(I) catalyst
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期刊论文 |
Yuxia Liu;Xu Yang;Lingjun Liu;Hongliang Wang;Siwei Bi |
| 10 |
Mechanism of Pd-Catalyzed Acylation/Alkenylation of Aryl Iodide: A DFT Study
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期刊论文 |
Yujie Liang;Siwei Bi;Yuan-Ye Jiang;Yuxia Liu |
| 11 |
Mechanistic investigation into Et3N C-H activation and chemoselectivity by Pd-Catalyzed intramolecular heck reaction of N-Vinylacetamides
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期刊论文 |
Lingjun Liu;Yuxia Liu;Baoping Ling;Siwei Bi |
| 12 |
Theoretical investigation on the chemoselective N-heterocycliccarbene-catalyzed cross-benzoin reactions
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期刊论文 |
Tao Liu;Shu-Min Han;Lu Wang;Xiang-Yang Cui;Chong-Yang Du;Ling-Li Han;Siwei Bi |
| 13 |
A Ligand-Dissociation-Involved Mechanism in Amide Formation of Monofluoroacylboronates with Hydroxylamines
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期刊论文 |
Yuan-Ye Jiang;Chen Wang;Yujie Liang;Xiaoping Man;Siwei Bi;Yao Fu |
| 14 |
Theoretical Study on Au(I)-Catalyzed [2+2+2] Cycloadditions of Ynamides with Two Discrete Nitriles
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期刊论文 |
Haosheng Liang;Siwei Bi;Yuxia Liu;Ya-nan Tang;Congcong Liu |
| 15 |
Mechanism of Amide Bond Formation from Carboxylic Acids and Amines Promoted by 9-Silafluorenyl Dichloride Derivatives
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期刊论文 |
Yuan-Ye Jiang;Ling Zhu;Yujie Liang;Xiaoping Man;Siwei Bi |
| 16 |
Theoretical Investigation on Rh(I)-CatalyzedCycloisomerizations of 4-Allenal Species with Linked Alkyne: Ketone vs AlcoholProducts
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期刊论文 |
Tao Liu;Lingli Han;Shumin Han;Siwei Bi |
| 17 |
Theoretical Study on Pd-Catalyzed Reaction of ArylIodide with Unsymmetrical Alkyne
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期刊论文 |
Yanan Tang;Siwei Bi;Yuxia Liu;Congcong Liu;Haosheng Liang |
| 18 |
Theoretical Study on Gold-Catalyzed Cyclization of 2-Alkynyl-N-Propargylanilines and Rationalization of Kinetic Experimental Phenomena
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期刊论文 |
Yeqing Duan;Yuxia Liu;Siwei Bi;Baoping Ling;Yuan-Ye Jiang;Peng Liu |
| 19 |
Mechanism of Trifluoroacetic-Acid-Promoted N-to-S Acyl Transfer of Enamides
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期刊论文 |
Yuan-Ye Jiang;Ling Zhu;Xiaoping Man;Yujie Liang;Siwei Bi |
| 20 |
Unveiling the mechanisms and secrets of chemoselectivities in AuIJI)-catalyzed diazo-based couplings with aryl unsaturated aliphatic alcohols
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期刊论文 |
Guojing Pei;Yuxia Liu;Guang Chen;Xiangai Yuan;Yuan-Ye Jiang;Siwei Bi |
| 21 |
A DFT mechanistic study on gold(I)-catalyzed cascade reaction of aminaloalkyne involving Petasis-Ferrier cyclization
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期刊论文 |
Jing Shi;Siwei Bi;Yuan-Ye Jiang;Yuxia Liu;Baoping Ling;Xiang-Ai Yuan |
| 22 |
Theoretical study on the base-controlled selective linear or branched orthoalkylation of azines catalyzed by rhodium: Mechanisms and the role of base
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期刊论文 |
Kang Lv;Yuan-Ye Jiang;Lingli Han;Tao Liua;Siwei Bi |
| 23 |
An Efficient Route to Regioselective Functionalization of Benzo[b]thiophenes via Palladium-Catalyzed Decarboxylative Heck Coupling Reactions: Insights from Experiment and Computation
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期刊论文 |
Daoshan Yang;Yuxia Liu;Pengfei Sun;Ning Zhang;Wei Wei;Mingyang Sun;Guang Chen;Siwei Bi;Hua Wang |
| 24 |
Mechanisms and Origins of Switchable Regioselectivity of FeBr3-Catalyzed [1,2]-Aryl and [1,2]-Alkyl Shift of α-Aryl Aldehydes
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期刊论文 |
Congcong Liu;Yuxia Liu;Yanan Tang;Haosheng Liang;Siwei Bi |
| 25 |
Identification of the active site of human mitochondrial malonyl-coenzyme A decarboxylase: a combined computational study
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期刊论文 |
Baoping Ling;Yuxia Liu;Xiaoping Li;Zhiguo Wang;Siwei Bi |
| 26 |
Mechanism and Rate-Determining Factors of Amide Bond Formation through Acyl Transfer of Mixed Carboxylic−Carbamic Anhydrides: A Computational Study
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期刊论文 |
Yuan-Ye Jiang;Tian-Tian Liu;Rui-Xue Zhang;Zhong-Yan Xu;Xue Sun;Siwei Bi |
| 27 |
A Reaction Mechanism for Gold-Catalyzed Hydroamination/ Cyclization of o‑Phenylendiamine and Propargylic Alcohols. A DFT Study
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期刊论文 |
Yueyue Wang;Baoping Ling;Peng Liu;Siwei Bi |
| 28 |
Mechanism of N-to-S acyl transfer of N-(2-hydroxybenzyl) cysteine derivatives and origin of phenol acceleration effect
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期刊论文 |
Siwei Bi;Peng Liu;Baoping Ling;Xiangai Yuan;Yuanye Jiang |
| 29 |
Insight into Pd-catalyzedbranching cyclizations of enediyne-imides towards furo[2,3-b]pyridines: a DFTstudy
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期刊论文 |
Weirong Wu;Siwei Bi;Yuxia Liu;Yanan Tang;Bingwen Li |
| 30 |
Mechanism and Origin of Et2Al(OEt)-Induced Selectivity of Nickel-Catalyzed Three-Component Coupling of One Diketene and Two Alkynes
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期刊论文 |
Yuxia Liu;Yanan Tang;Yuan-Ye Jiang;Xiaomin Zhang;Ping Li;Siwei Bi |
| 31 |
Impact of Ligand and Silane on the Regioselectivity in Catalytic Aldehyde−Alkyne Reductive Couplings: A Theoretical Study
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期刊论文 |
Tao Liu;Siwei Bi |
| 32 |
Boron Ester-Catalyzed Amidation of Carboxylic Acids with Amines: Mechanistic Rationale by Computational Study
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期刊论文 |
Yuan-Ye Jiang;Ben Hu;Zhong-Yan Xu;Rui-Xue Zhang;Tian-Tian Liu;Siwei Bi |
| 33 |
Electron-Donating Groups and High Ring Strain Promoted Ring Opening of Methylenecyclopropanes Catalyzed by Rhodium and Iridium Complexes
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期刊论文 |
Xiangai Yuan;Wenmin Wang;Ziqi Tian;Siwei Bi;Jing Ma |
| 34 |
Theoretical study for the Cl-initiated atmospheric oxidation of methyl isopropenyl ketone
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期刊论文 |
Yan Zhao;Shengli Zou;Yuan-Ye Jiang;Siwei Bi |
| 35 |
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
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期刊论文 |
Xiaomin Zhang;Yuxia Liu;Guang Chen;Xiaoping Li;Siwei Bi |
| 36 |
Theoretical Insight into the Mechanisms and Regioselectivity of [4 + 3] and [4 + 1] Annulations of Enals with Azoalkenes Catalyzed by N‑Heterocyclic Carbenes
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期刊论文 |
Tao Liu;Shumin Han;Yaping Li;Siwei Bi |
| 37 |
Mechanistic insight into conjugated N–N bond cleavage byRh(III)-catalyzed redox-neutral C–H activation of pyrazolones
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期刊论文 |
Weirong Wu;Yuxia Liu;Siwei Bi |
