Siwei Bi

发表

Oxidative addition of methane and benzene C–H bonds to rhodium center: A DFT study

Siwei Bi, Zhenwei Zhang, Shufen Zhu, 2006 .

Theoretical study of magnetic coupling interaction in terephthalato-bridged Ni(II) binuclear systems

Siwei Bi, Chengbu Liu, 2004 .

C-H Acidity and Arene Nucleophilicity as Orthogonal Control of Chemoselectivity in Dual C-H Bond Activation.

Siwei Bi, Shuo-qing Zhang, Xin Hong, 2019, Organic letters.

Theoretical investigations on the interactions of glucokinase regulatory protein with fructose phosphates

Min Sun, Baoping Ling, Xueyuan Yan, 2016, Comput. Biol. Chem..

Preparation of ZnO nanoparticles using the direct precipitation method in a membrane dispersion micro-structured reactor

G. Luo, Yujun Wang, Siwei Bi, 2010 .

Theoretical investigation on proton transfer mechanism of hydrated melamine

Linling Bai, Siwei Bi, Shihai Yan, 2011 .

The mechanism and structure-activity relationship of amide bond formation by silane derivatives: a computational study.

P. Liu, Peng Liu, Siwei Bi, 2019, Organic & biomolecular chemistry.

An efficient route to regioselective functionalization of benzo[b]thiophenes via palladium-catalyzed decarboxylative Heck coupling reactions: insights from experiment and computation.

Mingyang Sun, Pengfei Sun, Guang Chen, 2016, Organic & biomolecular chemistry.

Theoretical study on the intramolecular oxyamination involved in Rh(III)-catalyzed cyclization of unsaturated alkoxyamines

Siwei Bi, Yuanye Jiang, Yuxia Liu, 2019, Journal of Organometallic Chemistry.

A DFT mechanistic study on gold(I)-catalyzed cascade reaction of aminaloalkyne involving Petasis-Ferrier cyclization

Jing Shi, Siwei Bi, Baoping Ling, 2018, Journal of Organometallic Chemistry.

Mechanism of Pd-catalyzed acylation/alkenylation of aryl iodide: a DFT study.

Siwei Bi, Yuanye Jiang, Yu-Feng Liang, 2017, Organic & biomolecular chemistry.

Advances in theoretical study on transition-metal-catalyzed C−H activation

Siwei Bi, Yuanye Jiang, X. Man, 2016, Science China Chemistry.

Mechanism of the MeReO3-Catalyzed Deoxygenation of Epoxides

Zhenyang Lin, Siwei Bi, Ping Li, 2012 .

BONDING FEATURES AND REACTION MECHANISM OF THE OXIDATION OF 2-PROPANOL BY A Cp*Ir AMIDO COMPLEX

Mingyang Sun, Siwei Bi, Ping Li, 2010 .

Theoretical study on reaction of [(Ind*)Rh(CO)2Me]BF4 with nbd

Yi Zhao, Siwei Bi, Zhenwei Zhang, 2006 .

Coupling interactions between sulfurous acid and the hydroperoxyl radical.

Zhitao Shen, Siwei Bi, Hai Sun, 2010, Chemphyschem : a European journal of chemical physics and physical chemistry.

The capture of ·H and ·OH radicals by vitamin C and implications for the new source for the formation of the anion free radical.

Haitao Sun, Yuxiang Bu, Zhitao Shen, 2010, Physical chemistry chemical physics : PCCP.

Theoretical study of the Cl-initiated atmospheric oxidation of methyl isopropenyl ketone

Shengli Zou, Yan Zhao, Siwei Bi, 2017 .

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

Siwei Bi, Ping Wang, Tao Liu, 2020, Dalton transactions.

A computational study on H2S release and amide formation from thionoesters and cysteine.

Bing Hu, Siwei Bi, Lingui Zhu, 2019, Organic & biomolecular chemistry.

Mechanism of N-to-S acyl transfer of N-(2-hydroxybenzyl) cysteine derivatives and origin of phenol acceleration effect

P. Liu, Peng Liu, Siwei Bi, 2017, Chinese Chemical Letters.

Theoretical study on the magneto-structural correlation in imidazolate-bridged Cu(II) binuclear complexes

C. Liu, Siwei Bi, You-min Sun, 2004 .

Structural modeling and magnetostructural correlations for heterobinuclear Cu(II)–Ni(II) complex

Siwei Bi, Changqiao Zhang, Chengbu Liu, 2002 .

Computational Study Revealing the Mechanistic Origin of Distinct Performances of P(O)-H/OH Compounds in Palladium-Catalyzed Hydrophosphorylation of Terminal Alkynes: Switchable Mechanisms and Potential Side Reactions.

Peng Liu, Siwei Bi, Yuanye Jiang, 2022, The Journal of organic chemistry.

THEORETICAL STUDY ON THE INTERCONVERSION BETWEEN TWO ISOMERS OF A Ru COMPLEX, CONTAINING A HEMILABILE HYBRID LIGAND

Yi Zhao, Siwei Bi, Bin Wang, 2006 .

Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.

Yong‐Min Liang, Siwei Bi, Bo-Sheng Zhang, 2018, Chemical communications.

Theoretical study on magnetic coupling interaction for Cu(II) binuclear systems with extended bridging groups

Siwei Bi, Haiquan Hu, Changqiao Zhang, 2001 .

Distinctive Mechanistic Scenarios and Substituent Effects of Gold(I) versus Copper(I) Catalysis for Hydroacylation of Terminal Alkynes with Glyoxal Derivatives.

Peng Liu, Siwei Bi, Yuanye Jiang, 2022, The Journal of organic chemistry.

Preparation of Mesoporous ZnO Microspheres through a Membrane-Dispersion Microstructured Reactor and a Hydrothermal Treatment

Yujun Wang, Guangsheng Luo, Siwei Bi, 2011 .

Insights into α-Alkynylation and α-Allenylation of Aldehydes under the Synergisitic Catalysis of Gold/Amine: A DFT Study.

Siwei Bi, Baoping Ling, Wanying Zhang, 2022, The Journal of organic chemistry.

A Reaction Mechanism for Gold-Catalyzed Hydroamination/Cyclization of o-Phenylendiamine and Propargylic Alcohols. A DFT Study

Peng Liu, P. Liu, Siwei Bi, 2018, Organometallics.

Mechanistic insight into conjugated N-N bond cleavage by Rh(III)-catalyzed redox-neutral C-H activation of pyrazolones.

Siwei Bi, Yuxia Liu, Weirong Wu, 2015, Organic & biomolecular chemistry.

Mechanism, bonding nature of metal-nitrenoid, and selectivity for a nitrene-participating three-component carboamination of dienes: A DFT study

Xiaohan Wu, Siwei Bi, Baoping Ling, 2020 .

Mechanism and Origin of Chemoselectivity of Ru-Catalyzed Cross-Coupling of Secondary Alcohols to β-Disubstituted Ketones.

P. Liu, Bing Hu, Peng Liu, 2020, The Journal of organic chemistry.

Decarbonylative Issues Involved in Ru(II)‐Catalyzed [6+2−1] Annulation Reaction of Hydroxychromone with Alkyne: A DFT Study

Peng-jun Liu, Peng Liu, Siwei Bi, 2021 .

Detailed mechanisms on insertion of cis-2-butene into the Zr–H bond of Cp2ZrH2: A DFT study

Yanyun Zhao, Siwei Bi, Xiao-Xia Zhao, 2008 .

Mechanistic Insights into the Ruthenium-Catalyzed [4 + 1] Annulation of Benzamides and Propargyl Alcohols by DFT Studies

P. Liu, Peng Liu, Siwei Bi, 2019, Organometallics.

Mechanism and Origin of Ligand-Controlled Chemo- and Regioselectivity in Palladium-Catalyzed Methoxycarbonylation of Alkynes.

Peng Liu, Siwei Bi, Peng Liu, 2020, The Journal of organic chemistry.

C-H Activation versus Ring Opening and Inner- versus Outer-Sphere Concerted Metalation-Deprotonation in Rh(III)-Catalyzed Oxidative Coupling of Oxime Ether and Cyclopropanol: A Density Functional Theory Study.

Siwei Bi, Yuanye Jiang, Yuxia Liu, 2019, The Journal of organic chemistry.

Mechanism and Origin of Stereoselectivity of Pd-Catalyzed Cascade Annulation of Aryl Halide, Alkene, and Carbon Monoxide via C-H Activation.

Siwei Bi, Lingui Zhu, Qi Zhang, 2019, The Journal of organic chemistry.

Transition Metal Complexes of the Benzoin Schiff Base of S-Benzyldithiocarbazate

E. Gao, Siwei Bi, Hai-ying Sun, 1997 .

Mechanisms and origins of the switchable regioselectivity of FeBr3-catalyzed [1,2]-aryl and [1,2]-alkyl shifts of α-aryl aldehydes.

Siwei Bi, Yanan Tang, Yuxia Liu, 2016, Organic & biomolecular chemistry.

Insights into the nature of the coupling interactions between uracil corrosion inhibitors and copper : a DFT and molecular dynamics study

A. Du, Qiao Sun, Zhen Li, 2012 .

Mechanism and stereospecificity of Z-enamide synthesis from salicylaldehydes with isoxazoles using DFT calculations

Rutao Liu, Peng Liu, Peng Liu, 2019 .

Unveiling the mechanisms and secrets of chemoselectivities in Au(I)-catalyzed diazo-based couplings with aryl unsaturated aliphatic alcohols

Guang Chen, Siwei Bi, Yuanye Jiang, 2018 .

Distinct roles of Ag(I) and Cu(II) as cocatalyst to achieve positional selective C-H alkenylation of isoxazoles: A theoretical investigation.

Siwei Bi, Tao Liu, Jing Zhang, 2020, The Journal of organic chemistry.

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

C. Liu, Dongju Zhang, Siwei Bi, 2012 .

Impact of Ligand and Silane on the Regioselectivity in Catalytic Aldehyde–Alkyne Reductive Couplings: A Theoretical Study

T. Liu, Siwei Bi, 2016 .

Mechanistic Investigation of Au(III)-Catalyzed Cycloisomerizations of N -Propargylcarboxamides

Peng Liu, Peng Liu, Dongju Zhang, 2019, European Journal of Organic Chemistry.

Mechanism and Origin of Et2Al(OEt)-Induced Chemoselectivity of Nickel-Catalyzed Three-Component Coupling of One Diketene and Two Alkynes

Siwei Bi, Yanan Tang, Yuanye Jiang, 2017 .

Theoretical Investigation on Rhodium(I)-Catalyzed Cycloisomerizations of 4-Allenal Species with Linked Alkyne: Ketone vs Alcohol Products

T. Liu, Siwei Bi, Shu-Min Han, 2015 .

Theoretical Insight into the Mechanisms and Regioselectivity of [4 + 3] and [4 + 1] Annulations of Enals with Azoalkenes Catalyzed by N-Heterocyclic Carbenes.

T. Liu, Siwei Bi, Shumin Han, 2016, The Journal of organic chemistry.

Mechanism of Cu-Catalyzed Aerobic C(CO)–CH3 Bond Cleavage: A Combined Computational and Experimental Study

Daoshan Yang, Guoqing Li, Siwei Bi, 2019, ACS Catalysis.

Mechanisms of H2, H2C=CH2, and O=CH2 Insertion into Cp2Zr(η2‐SiMe2=NtBu)(PMe3)

Siwei Bi, Zhenwei Zhang, Shufen Zhu, 2007 .

Isomerism of [Ru(η3-allyl)Cl(CO)(PPh3)2]

Ian D. Williams, H. Sung, Zhenyang Lin, 2004 .

Mechanistic investigation on hydrogenation and hydrosilylation of ethylene catalyzed by rhenium nitrosyl complex

Mingyang Sun, Siwei Bi, Ping Li, 2009 .

DFT study on C-C bond cleavage of nitriles by a silyl(silylene)iron complex

Xuanxuan Bi, Yanyun Zhao, Siwei Bi, 2008 .

Electron-donating groups and high ring strain promoted ring opening of methylenecyclopropanes catalyzed by rhodium and iridium complexes

Wenmin Wang, Ziqi Tian, Siwei Bi, 2016 .

A Ligand-Dissociation-Involved Mechanism in Amide Formation of Monofluoroacylboronates with Hydroxylamines.

Chen Wang, Siwei Bi, Yao Fu, 2017, The Journal of organic chemistry.

Theoretical investigation on the chemoselective N-heterocyclic carbene-catalyzed cross-benzoin reactions.

T. Liu, Lu Wang, Siwei Bi, 2015, Organic & biomolecular chemistry.

Theoretical description for the Rh(I)-catalyzed borylation mechanism of a typical aryl cyanide

Dongju Zhang, Siwei Bi, Jing Yan, 2015 .

A DFT STUDY OF CO MIGRATORY INSERTION REACTIONS WITH A NEW TYPE OF GROUP 10 METAL-ALKYL AND METAL-ALKOXIDE BONDS

W. Fan, Siwei Bi, Ping Li, 2012 .

Theoretical study on magnetostructural correlation in unsymmetrical oxamidocopper(II) complexes

C. Liu, Siwei Bi, Haiquan Hu, 2002 .

Mechanism of Amide Bond Formation from Carboxylic Acids and Amines Promoted by 9-Silafluorenyl Dichloride Derivatives.

Siwei Bi, Lingui Zhu, Yuanye Jiang, 2017, The Journal of organic chemistry.

Theoretical investigation on the mechanisms of transfer hydrogenation of ketones catalyzed by iridium complexes

Yanyun Zhao, Siwei Bi, Xiao-Xia Zhao, 2008 .

Double-Regiodetermining-Stages Mechanistic Model Explaining the Regioselectivity of Pd-Catalyzed Hydroaminocarbonylation of Alkenes with Carbon Monoxide and Ammonium Chloride.

Peng Liu, Bing Hu, Siwei Bi, 2021, The Journal of organic chemistry.

Synthesis, Characterization and Antifungal Activity of Some Transition Metal Complexes of the Schiff Base Derived from 4-Acetylbi-Phenyl and S-Benzyldithiocarbazate

Guizhi Li, Siwei Bi, 1999 .

Synthesis and Characterization of Transition Metal Ternary Complexes of Glyoxylic Acid Thiosemicarbazone and 1,10-Phenanthroline

E. Gao, Siwei Bi, Yan-Tuan Li, 1996 .

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

Guang Chen, Siwei Bi, Yuxia Liu, 2017 .

Noncovalent Interaction- and Steric Effect-Controlled Regiodivergent Selectivity in Dimeric Manganese-Catalyzed Hydroarylation of Internal Alkynes: A Computational Study.

Peng Liu, J. Xie, Congcong Huang, 2022, The Journal of organic chemistry.

Computational Study on the Mechanisms and Origins of Selectivity in Hydroarylation of 1,3-Diyne Alcohol Catalyzed by Di- and Mononuclear Manganese Complexes

Peng Liu, Congcong Huang, Siwei Bi, 2021, Organometallics.

SYNTHESES, CHARACTERIZATIONS, AND STABILITIES OF SOME TRANSITION METAL COMPLEXES OF 4-ACETYLBIPHENYL THIOSEMICARBAZONE

E. Gao, Laijin Tian, Siwei Bi, 1998 .

Theoretical investigation of C-H/olefin coupling catalyzed by zirconium(IV) complexes

Zhenyang Lin, Siwei Bi, R. F. Jordan, 2004 .

Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating the eta^7-arachno-Carboranyl Ligands

Zhenyang Lin, Siwei Bi, Hoi-Shan Chan, 2005 .

Theoretical investigation on possible mechanisms on regioselective formation of (η3-siloxyallyl)tungsten complexes

Mingyang Sun, Guang Chen, Siwei Bi, 2009 .

A DFT STUDY ON CO INSERTION AND C–C REDUCTIVE ELIMINATION INVOLVED IN THE CARBONYLATION OF METALLACYCLIC ZIRCONACENES

Mingyang Sun, Siwei Bi, Ping Li, 2011 .

Synthesis, Characterization of An Unsymmetrical Cu(II) Complex Liquid Crystal of a Schiff Base Containing a Terminal Double Bond

Siwei Bi, 1999 .

Rhodium catalysed dehydrogenative borylation of alkenes: vinylboronates via C-H activation.

Zhenyang Lin, Siwei Bi, Rhodri Ll. Thomas, 2008, Dalton Transactions.

Substituent-controlled C-N coupling involved in Rh(III)-catalyzed oxidative [3+2] annulation of 2-acetyl-1-arylhydrazines with maleimides: A DFT study

Guizhi Li, Siwei Bi, 2020 .

Theoretical study on Au(I)-catalyzed [2 + 2 + 2] cycloadditions of ynamides with two discrete nitriles.

Siwei Bi, Yanan Tang, Yuxia Liu, 2016, Organic & biomolecular chemistry.

Unraveling the formation mechanism of subphthalocyanine. Density functional theory studies

Xin Chen, Chiming Wang, Dongdong Qi, 2017 .

DFT study of alkene hydrogenation catalyzed by Rh(acac)(CO)2

Mingyang Sun, Yangjun Ding, Siwei Bi, 2010 .

Mechanism of trifluoroacetic-acid-promoted N-to-S acyl transfer of enamides

Siwei Bi, Lingui Zhu, Yuanye Jiang, 2017 .

Isomerism of Cp-Containing Transition Metal Allyl Complexes

Zhenyang Lin, G. Jia, Siwei Bi, 2005 .

Zirconium, hafnium, and tantalum amide silyl complexes: their preparation and conversion to metallaheterocyclic complexes via gamma-hydrogen abstraction by silyl ligands.

Z. Xue, I. Guzei, Zhenyang Lin, 2004, Inorganic chemistry.

Theoretical Investigation of the Controlled Metathesis Reactions of Methylruthenium(II) Complexes with Terminal Acetylenes

Dongju Zhang, Guang Chen, Siwei Bi, 2014 .

A DFT study on the effect of hydrogen bonding on the reaction of a μ-benzoquinone diruthenium complex with acetylene

Mingyang Sun, Yangjun Ding, Dongdong Dong, 2010 .

Explorations of the nature of the coupling interactions between vitamin C and methylglyoxal: a DFT study

Haitao Sun, Siwei Bi, Ping Li, 2011 .

Computational study of the mechanism of amide bond formation via CS2-releasing 1,3-acyl transfer.

Siwei Bi, Lingui Zhu, Yuanye Jiang, 2018, Organic & biomolecular chemistry.

Theoretical study on three-membered silametallacycles toward MeOH: Mechanisms on formation of ring-opening products

Yi Zhao, Bin Zhao, Siwei Bi, 2006 .

Theoretical Insight into PtCl2-Catalyzed Isomerization of Cyclopropenes to Allenes

Dongju Zhang, Siwei Bi, Yuxia Liu, 2012 .

Synthesis and Characterization of 2-Alkoxycarbonylethyltin Trichlorides and their Complexes

Laijin Tian, Siwei Bi, Shuxiang Liu, 1997 .

Hydrothermal–thermal conversion synthesis of hierarchical porous MgO microrods as efficient adsorbents for lead(II) and chromium(VI) removal

Wancheng Zhu, Siwei Bi, Linlin Zhang, 2014 .

Theoretical investigation on Pt(II)- and Au(I)-mediated cycloisomerizations of propargylic 3-indoleacetate: [3 + 2]- versus [2 + 2]-cycloaddition products.

C. Liu, Dongju Zhang, Siwei Bi, 2013, Organic & biomolecular chemistry.

Design of an efficient photocatalyst: a type II heterojunction for enhanced hydrogen production driven by visible light.

Mengdi Cui, Siwei Bi, Fengjie Zhou, 2021, Physical chemistry chemical physics : PCCP.

Theoretical elucidation of the multi-functional synthetic methodology for switchable Ni(0)-catalyzed C–H allylations, alkenylations and dienylations with allenes

Guang Chen, Siwei Bi, Yulin Li, 2020 .

Theoretical study on Pd-catalyzed reaction of aryl iodide with unsymmetrical alkyne

Siwei Bi, Yanan Tang, Baoping Ling, 2016 .

SYNTHESIS AND CHARACTERIZATION OF A PD-COORDINATED AZO-TYPE LIQUID CRYSTAL

Bin Zhao, Siwei Bi, 1998 .

Synthesis, Characterization of Cu(II) and Ni(II) Liquid Crystal Complexes of an Unsymmetrical β-Diketone Containing a Terminal Double Bond

Siwei Bi, 1999 .

Theoretical studies on the electron capture properties of the H2SO4...HOO˙ complex and its implications as an alternative source of HOOH.

Haitao Sun, Yuxiang Bu, Siwei Bi, 2011, Physical chemistry chemical physics : PCCP.

Bonding analysis and the mechanisms on the ring-opening of alkoxy-bridged bis(silylene) transition-metal complexes toward MeOH

Yanyun Zhao, Siwei Bi, Xiao-Xia Zhao, 2008 .

Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N.

Jun Jiang, Siwei Bi, Xijun Wang, 2021, Journal of the American Chemical Society.

Theoretical study on CuCl-catalyzed coupling of thiol esters with organostannane.

Jing Sun, Siwei Bi, Ping Li, 2012, The journal of physical chemistry. A.

Density Functional Theory Study on the Mechanism of Iridium-Catalyzed Benzylamine ortho C–H Alkenylation with Ethyl Acrylate

Peng Liu, Siwei Bi, Peng Liu, 2020, ACS omega.

Mechanistic insights into the C(sp3)-H heteroarylation of amides and Fukui function analysis of regioselectivity

Congcong Huang, Siwei Bi, Xiang-Ai Yuan, 2021 .

Computation Study on Copper-Catalyzed Aerobic Intramolecular Aminooxyge native C═C Bond Cleavage to Imides: Different Roles of Mononuclear and Dinuclear Copper Complexes

Siwei Bi, Yuanye Jiang, Yu Li, 2023, ACS Catalysis.

Identification of the active site of human mitochondrial malonyl‐coenzyme a decarboxylase: A combined computational study

Siwei Bi, Baoping Ling, Yuxia Liu, 2016, Proteins.

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.

Haitao Sun, Yuxiang Bu, Siwei Bi, 2011, Physical chemistry chemical physics : PCCP.

Molecular dynamics simulations of mutated Mycobacterium tuberculosis L-alanine dehydrogenase to illuminate the role of key residues.

Mingyang Sun, Siwei Bi, Baoping Ling, 2014, Journal of molecular graphics & modelling.

Molecular dynamics simulations of isoleucine-release pathway in GAF domain of N-CodY from Bacillus Subtilis.

Mingyang Sun, Siwei Bi, Baoping Ling, 2013, Journal of molecular graphics & modelling.

Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosis L-alanine dehydrogenase.

Mingyang Sun, Siwei Bi, Yongjun Liu, 2012, Journal of molecular graphics & modelling.

Theoretical evaluation of the carbene-based site-selectivity in gold(III)-catalyzed annulations of alkynes with anthranils.

T. James, Guang Chen, Siwei Bi, 2021, Chemical communications.

Ligand-Controlled Regiodivergent Cyanoboration of Internal Allenes by Copper Catalysis.

Siwei Bi, Yuanye Jiang, Yuanhong Liu, 2022, Angewandte Chemie.

Mechanistic investigation into Et 3 N C H activation and chemoselectivity by Pd-Catalyzed intramolecular heck reaction of N-Vinylacetamides

Siwei Bi, Baoping Ling, Yuxia Liu, 2017 .

Theoretical Insights into Ester-Directed Reactions between Propiolates with 1,2-Benzisoxazoles by Au(I) Catalyst: [4 + 2]-Annulation versus Michael-Type Products

Guang Chen, Siwei Bi, Yulin Li, 2020 .

Mechanistic Insights Into the Rhodium-Catalyzed C-H Alkenylation/Directing Group Migration and [3+2] Annulation: A DFT Study.

Peng Liu, Siwei Bi, Baoping Ling, 2023, The Journal of organic chemistry.

Mechanistic Study on Platinum-Catalyzed Domino Reaction of Benziodoxole and Pyrrole Homopropargylic Ethers for Indole Synthesis

Siwei Bi, Yuanye Jiang, Yuxia Liu, 2017 .

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)

Mingyang Sun, Siwei Bi, Xiang-Ai Yuan, 2010 .

Mechanism of Endo−Exo Interconversion in η3-Allyl Cp Complexes: A Longstanding Unresolved Issue

Siwei Bi, Alireza Ariafard, Zhenyang Lin, 2005 .

Reaction mechanisms of Cp-containing silene complexes toward H2: A DFT study

Siwei Bi, Zhenwei Zhang, Zhaodong Yuan, 2007 .

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

T. James, Guang Chen, Siwei Bi, 2020 .

Mechanism of Rh(III)-catalyzed alkylation of N-pyrimidylindoline with cyclopropanols: A DFT study

Xiaohan Wu, Siwei Bi, Baoping Ling, 2020 .

Boron Ester-Catalyzed Amidation of Carboxylic Acids with Amines: Mechanistic Rationale by Computational Study.

Siwei Bi, Yuanye Jiang, Ben Hu, 2018, Chemistry, an Asian journal.

Mechanism of Palladium-Catalyzed Alkylation of Aryl Halides with Alkyl Halides through C–H Activation: A Computational Study

Peng Liu, Siwei Bi, Lingui Zhu, 2018, Organometallics.

A comprehensive theoretical study on the reactions of Sc+ with CnH2n+2 (n=1-3): structure, mechanism, and potential-energy surface.

Shiling Yuan, Dongju Zhang, Siwei Bi, 2003, Chemistry.

Theoretical studies on the interaction mechanisms between tetrachloro-p-benzoquinone and hydrogen peroxide

Haitao Sun, Siwei Bi, Ping Li, 2013, Structural Chemistry.

A DFT study on the electron affinity of tetrachloro-p-benzoquinone: Toward to understanding its electron-accepting ability in solution

Haitao Sun, Siwei Bi, Ping Li, 2013 .

Theoretical Study of Gold-Catalyzed Cyclization of 2-Alkynyl-N-propargylanilines and Rationalization of Kinetic Experimental Phenomena.

Peng Liu, Siwei Bi, Baoping Ling, 2016, The Journal of organic chemistry.

How size, edge shape, functional groups and embeddedness influence the electronic structure and partial optical properties of graphene nanoribbons.

Yuchen Ma, Mengdi Cui, Siwei Bi, 2021, Physical chemistry chemical physics : PCCP.

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.

A. Du, Yan Zhao, Qiao Sun, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Mechanistic and kinetics study on the reaction of methylallyl alcohol with Cl: A theoretical study

K. Han, Yan Zhao, Siwei Bi, 2021 .

Graphitic carbon nitride nanodots: electronic structure and its influence factors

Yuchen Ma, Siwei Bi, Jiawei Li, 2020, Journal of Materials Science.

Molecular dynamics simulations of mutated Mycobacterium tuberculosis L-alanine dehydrogenase to illuminate the role of key residues.

Mingyang Sun, Siwei Bi, Baoping Ling, 2014, Journal of molecular graphics & modelling.

Mechanistic insight into water-modulated cycloisomerization of enynyl esters using an Au(I) catalyst.

Xu Yang, Siwei Bi, Yuxia Liu, 2015, Dalton transactions.

Gold-Catalyzed Oxidation Reactions of Thioalkynes with Quinoline N-Oxides: A DFT Study.

Siwei Bi, Baoping Ling, Wanying Zhang, 2024, The Journal of organic chemistry.