已发表成果:
WOK 论文 186 篇;其它论文 7 篇;
Electrochemical cascade migratory <i>versus ortho</i>-cyclization of 2-alkynylbenzenesulfonamides
Screening seven-electron boron-centered radicals for dinitrogen activation
p-Aromaticity Dominating in a Saturated Ring: Neutral Aromatic Silicon Analogues of Cyclobutane-1,3-diyls
Harmonic Oscillator Model of Aromaticity for Organometallics Containing the Os-C Bond
Adaptive Aromaticity in 18e Metallapentalenes
Probing Near-infrared Absorbance of <i>E</i> and <i>Z</i> Diazene Isomers via Antiaromaticity
Adaptive σ aromaticity in the rhenacyclopropene rings
FP(<i>μ</i>-N)<sub>2</sub>S: A Sulfur-Pnictogen Four-Membered Ring with 6π Electrons
Mechanism of metalated pyrrole-singlet oxygen chemiluminescent reaction
Exploiting heterocycle aromaticity to fabricate new hot exciton materials
Dynamic Evolving Exothermicity Steers Ultrafast Formation of a Correlated Triplet Pair State
Synthesis and Reactivity of an Anti-van?t Hoff/Le Bel Compound with a Planar Tetracoordinate Silicon(II) Atom
Synthesis and characterization of Craig-type antiaromatic species with [4n+2] π electrons
A Triplet Iron Carbyne Complex
An unprecedented route to achieve persistent 1<i>H</i>-azirine
Probing the mechanism of adaptive aromaticity in metallapyridiniums
Direct Conversion of N2 and O2 to Nitric Oxide at Room Temperature Initiated by Double Aromaticity in the Y2BO+Cation
Predicting Small Molecule Activation including Catalytic Hydrogenation of Dinitrogen Promoted by a Dual Lewis Acid
Adaptive aromaticity in osmapentalene and osmapyridinium complexes with carbone ligands
Chiral polycyclic benzosultams from photocatalytic diastereo- and enantioselective benzylic C-H functionalization
Probing the Hyperconjugative Aromaticity of Cyclopentadiene and Pyrroliums Containing Group 7 Transition Metal Substituents
A conjugated diosma-octacyclic complex and its mixed-valence singly reduced state
An Isolable 2,5-Disila-3,4-Diphosphapyrrole and a Conjugated Si=P-Si=P-Si=N Chain Through Degradation of White Phosphorus with a N,N-Bis(Silylenyl)Aniline
Mechanistic Insight into the Ni-Catalyzed Kumada Cross-Coupling: Alkylmagnesium Halide Promotes C-F Bond Activation and Electron-Deficient Metal Center Slows Down beta-H Elimination
A bis(silylene)pyridine pincer ligand can stabilize mononuclear manganese(0) complexes: facile access to isolable analogues of the elusive d(7)-Mn(CO)(5) radical
Predicting Dinitrogen Activation by Carborane-Based Frustrated Lewis Pairs
Stabilizing a 20-Electron Metallaazulyne by Aromaticity
Editorial: A Genetic Perspective on Asian Populations
Asymmetric Construction of alpha,gamma-Disubstituted alpha,beta-Butenolides Directly from Allylic Ynoates Using a Chiral Bifunctional Phosphine Ligand Enables Cooperative Au Catalysis
Electrochemical Migratory Cyclization of N-Acylsulfonamides
Unexpected White Phosphorus (P-4) Activation Modes with Silylene-Substituted o-Carboranes and Access to an Isolable 1,3-Diphospha-2,4-disilabutadiene
Predicting dinitrogen activation by borenium and borinium cations
[(CrGe9)Cr-2(CO)(13)](4-): A disubstituted case of ten-vertex closo cluster with spherical aromaticity
Structure, bonding and adaptive aromaticity in rhenium-oxo complexes: a DFT study
Understanding reaction mechanisms of metal-free dinitrogen activation by methyleneboranes
Predicting Dinitrogen Activation by Five-Electron Boron-Centered Radicals
Antiaromaticity-promoted radical anion stability in alpha-vinyl heterocyclics
Computational predictions of adaptive aromaticity for the design of singlet fission materials
Phosphine-Stabilized Germylidenylpnictinidenes as SyntheticEquivalents of Heavier Nitrile and Isocyanide in CycloadditionReactions with Alkynes br
Theoretical Study on Reaction Mechanisms of Dinitrogen Activation and Coupling by Carbene-Stabilized Borylenes in Comparison with Intramolecular C-H Bond Activation
Probing a General Strategy to Break the C-C Bond of Benzene by a Cyclic (Alkyl)(Amino)Aluminyl Anion
Helical Trilayer Nanographenes with Tunable Interlayer Overlaps
Catalytic Mechanisms of Transfer Hydrogenation of Azobenzene with Ammonia Borane by Pincer Bismuth Complex: Crucial Role of C=N Functional Group on the Pincer Ligand
Aromaticity-promoted CS2 activation by heterocycle-bridged P/N-FLPs: a comparative DFT study with CO2 capture
A Conjugated Figure-of-Eight Oligoparaphenylene Nanohoop with Adaptive Cavities Derived from Cyclooctatetrathiophene Core
Adaptive aromaticity in 16-valence-electron metallazapentalenes
Osmapentalyne and osmapentalene complexes containing boron monofluoride ligands: structure, bonding and adaptive aromaticity
Probing the origin of ambiphilic reactivity in osmapentalyne complexes: Interplay of ring strain, aromaticity, and phosphonium substituent
Research Progress of Nickel-Based Metal-Organic Frameworks and Their Derivatives for Oxygen Evolution Catalysis
Tuning the hyperconjugative aromaticity in Au(iii)-substituted indoliums
Isolation of a carbon nanohoop with Mobius topology
New Types of Ge-2 and Ge-4 Assemblies Stabilized by a Carbanionic Dicarborandiyl-Silylene Ligand
[Bi6Mo3(CO)(9)](4-): a multiple local sigma-aromatic cluster containing a distorted Bi-6 triangular prism
Probing the origin of the stereoselectivity and enantioselectivity of cobalt-catalyzed [2+2] cyclization of ethylene and enynes
Carbon-halogen bond activation by a structurally constrained phosphorus(III) platform
Probing hyperconjugative aromaticity in 2H-pyrrolium and cyclopentadiene containing group 9 transition metal substituents: bridged carbonyl ligands can enhance aromaticity
Aromaticity Survival in Hydrofullerenes: The Case of C66H4 with Its pi-Aromatic Circuits
Rational design of the nickel-borane complex for efficient hydrogenation of styrene
Adaptive Aromaticity in Metallasilapentalynes
Systematic Design of a Frustrated Lewis Pair Containing Methyleneborane and Carbene for Dinitrogen Activation
Predicting Dinitrogen Activation via Transition-Metal-Involved [4+2] Cycloaddition Reaction
Nucleophilic Reactions of Osmanaphthalynes with PMe3 and H2O
Predicting Dinitrogen Coupling with a Series of Small Molecules Catalyzed by a Pincer Complex
Releasing Antiaromaticity in Metal-Bridgehead Naphthalene
Antiaromaticity-Promoted Radical Stability in alpha-Methyl Heterocyclics
Achieving a Favorable Activation of the C-F Bond over the C-H Bond in Five- and Six-Membered Ring Complexes by a Coordination and Aromaticity Dually Driven Strategy
A Genuine Stannylone with a Monoatomic Two-Coordinate Tin(0) Atom Supported by a Bis(silylene) Ligand
Probing the tautomerization of disilenes and disilabenzenes with their isomeric silylenes: significant substituent, aromaticity and base effects
Open questions on aromaticity in organometallics
Chemoselectivity for B-O and B-H Bond Cleavage by Pincer-Type Phosphorus Compounds: Theoretical and Experimental Studies
Probing the Origin of Adaptive Aromaticity in 16-Valence-Electron Metallapentalenes
Tuning the Properties of Corannulene-Based Polycyclic Aromatic Hydrocarbons by Varying the Fusing Positions of Corannulene
Screening Borane Species for Dinitrogen Activation
Singlet Fission in a Pyrrole-Fused Cross-Conjugated Skeleton with Adaptive Aromaticity
Reaction Mechanisms on [3+2] Cycloaddition of Azides with Metal Carbyne Complexes: Significant Effects of Aromaticity, Substituent, and Metal Center
Redox Neutral Radical-Relay Cobalt Catalysis toward C-H Fluorination and Amination
Are Hetero-metallapentalenes Aromatic or Not? A DFT Investigation
Kinetic Control in the Synthesis of a Mobius Tris((ethynyl)[5]helicene) Macrocycle Using Alkyne Metathesis
Dinitrogen Activation by Tricoordinated Boron Species: A Systematic Design
Adaptive aromaticity in ruthenacycles
Formation of Iridium(III) Complexes via Selective Activation of the C-H and N-H Bonds of a Dipyridylpyrrole Ligand
Probing the Aromaticity and Stability of Metallatricycles by DFT Calculations: Toward Clar Structure in Organometallic Chemistry
Adaptive σ Aromaticity and Triplet Ground State in Tetraatomic Boron Species
Achieving Adaptive Aromaticity in Cyclo[10]carbon by Screening Cyclo[n]carbon (n=8-24)
Access to tetracyclic aromatics with bridgehead metals via metalla-click reactions
Antiaromaticity-Promoted Activation of Dihydrogen with Borole Fused Cyclooctatetraene Frustrated Lewis Pairs: A Density Functional Theory Study
Probing the Origin of Adaptive Aromaticity in 16-Valence-Electron Metallapentalenes
Adaptive sigma-Aromaticity in an Unsaturated Three-Membered Ring
Facile Dinitrogen and Dioxygen Cleavage by a Uranium(III) Complex: Cooperativity Between the Non-Innocent Ligand and the Uranium Center
Are Hetero-metallapentalenes Aromatic or Not? A DFT Investigation
Reaction mechanisms of iron(iii) catalyzed carbonyl-olefin metatheses in 2,5- And 3,5-hexadienals: Significant substituent and aromaticity effects
Hyperconjugative aromaticity and protodeauration reactivity of polyaurated indoliums
Isotopic Oxygen Exchange between CeO2 and O-2: A Heteroexchange Mechanism
Reaction Mechanisms on Unusual 1,2-Migrations of N-Heterocyclic Carbene-Ligated Transition Metal Complexes
Cu-Catalyzed Aromatic Metamorphosis of 3-Aminoindazoles
Bowl Inversion in an Exo-type Supramolecule in the Solid State
3-Aminoindole Synthesis from 2-Nitrochalcones and Ammonia or Primary Amines
Unconventional Aromaticity in Organometallics: The Power of Transition Metals
Dual Aromaticity in Both the T-0 and S-1 States: Osmapyridinium with Phosphonium Substituents
Probing Hyperconjugative Aromaticity of Monosubstituted Cyclopentadienes
Rational Design of a Carbon-Boron Frustrated Lewis Pair for Metal-free Dinitrogen Activation
Bonded to Carbon or Nitrogen? This is a Question on the Regioselectivity in Hyperconjugative Aromaticity
Aromaticity-promoted C?F Bond Activation in Rhodium Complex: A Facile Tautomerization
Probing Reaction Mechanism of [1,5]-Migration in Pyrrolium and Pyrrole Derivatives: Activation of a Stronger Bond in Electropositive Groups Becomes Easier
Reaction Mechanisms on Unusual 1,2-Migrations of N-Heterocyclic Carbene-Ligated Transition Metal Complexes
An Unprecedented Ga/P Frustrated Lewis Pair: Synthesis, Characterization, and Reactivity
Predicting an Antiaromatic Benzene Ring in the Ground State Caused by Hyperconjugation
Aromaticity-promoted CO2 Capture by P/N-Based Frustrated Lewis Pairs: A Theoretical Study
Nickel Complexes with Non-innocent Ligands as Highly Active Electrocatalysts for Hydrogen Evolution
Probing the Strongest Aromatic Cyclopentadiene Ring by Hyperconjugation
An isolable catenane consisting of two Mobius conjugated nanohoops
Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect
Predicting an unconventional facile route to metallaanthracenes
Rational Design and Synthesis of Unsaturated Se-Containing Osmacycles with σ-Aromaticity
Recent progress in the chemistry of lanthanide-ligand multiple bonds
Isolation of an Eleven-Atom Polydentate Carbon-Chain Chelate Obtained by Cycloaddition of a Cyclic Osmium Carbyne with an Alkyne
Direct energetic evaluation of aromaticity by cleaving the rings of cyclic compounds
σ-Aromaticity in a Fully Unsaturated Ring
To Be Bridgehead or Not to Be? This is a Question of Metallabicycles on the Interplay between Aromaticity and Ring Strain
Multiyne chains chelating osmium via three metal-carbon sigma bonds
Craig-Type M?bius Aromaticity and Antiaromaticity in Dimetalla[10]annulenes: A Metal-Induced Yin-and-Yang Pair
Catalytic hydroboration of aldehydes, ketones, alkynes and alkenes initiated by NaOH
A theoretical study on the mechanism of ruthenium(II)-catalyzed phosphoryl-directed ortho-selective C-H bond activations: the phosphoryl hydroxy group triggered Ru(II)/Ru(0) catalytic cycle
Synthesis and Characterization of a Metallacyclic Framework with Three Fused Five-membered Rings
Microsolvation effects on the reactivity of oxy-nucleophiles: the case of gas-phase S(N)2 reactions of YO-(CH3OH)(n=1,2) towards CH3Cl
Synthesis and Characterization of Osmium Polycyclic Aromatic Complexes via Nucleophilic Reactions of Osmapentalyne
Probing a General Rule towards Thermodynamic Stabilities of Mono BN-doped Lower Polyenes
Metallapentalenofurans and Lactone-Fused Metallapentalynes
Rational Design and Synthesis of Unsaturated Se-Containing Osmacycles with σ-Aromaticity
Mechanism of Nickel-Catalyzed Selective C-N Bond Activation in Suzuki-Miyaura Cross-Coupling of Amides: A Theoretical Investigation
Probing the Origin of Challenge of Realizing Metallaphosphabenzenes: Unfavorable 1,2-Migration in Metallapyridines Becomes Feasible in Metallaphosphabenzenes
Isolation of a Heavier Cyclobutadiene Analogue: 2,4-Digerma-1,3-diphosphacyclobutadiene
Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums
Comprehensive Comparison Between the Gas-phase S(N)2 Reactions at Carbon and at Nitrogen
Synthesis of digermylene-stabilized linear tetraboronate and boroxine
Mechanism, catalysis and predictions of 1,3,2-diazaphospholenes: theoretical insight into highly polarized P-X bonds
Main group metal-ligand cooperation of N-heterocyclic germylene: an efficient catalyst for hydroboration of carbonyl compounds
Unexpected higher stabilisation of two classical antiaromatic frameworks with a ruthenium fragment compared to the osmium counterpart: origin probed by DFT calculations
Synthesis of aromatic ruthenabenzothiophenes via C-H activation of thiophenes
The Clar Structure in Inorganic BN Analogues of Polybenzenoid Hydrocarbons: Does it Exist or Not?
sigma Aromaticity Dominates in the Unsaturated Three-Membered Ring of Cyclopropametallapentalenes from Groups 7-9: A DFT Study
Stability, Reactivity, Selectivity, Catalysis, and Predictions of 1,3,2,5-Diazadiborinine: Computational Insight into a Boron-Boron Frustrated Lewis Pair
Stabilizing two classical antiaromatic frameworks: Demonstration of photoacoustic imaging and the photothermal effect in metalla-aromatics
Reactivity of Germylene toward Phosphorus-Containing Compounds: Nucleophilic Addition and Tautomerism
Probing the reactivity of microhydrated α-nucleophile in the anionic gas-phase SN2 reaction
Unexpected 1,2-migration in metallasilabenzenes: Theoretical evidence for reluctance of silicon to Participate in Π bonding
Five-Membered Cyclic Metal Carbyne: Synthesis of Osmapentalynes by the Reactions of Osmapentalene with Allene, Alkyne, and Alkene
Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects
σ-Aromaticity in an unsaturated ring: Osmapentalene derivatives containing a metallacyclopropene unit
Why does activation of the weaker C=S bond in CS2 by P/N-based frustrated lewis pairs require more energy than that of the C=O bond in CO2? A DFT study
Finite volume Hermite WENO schemes for solving the Hamilton-Jacobi equations II: Unstructured meshes
Theoretical study on the interconversion of silabenzenes and their monocyclic non-aromatic isomers via the [1,3]-substituent shift: Interplay of aromaticity and Bent's rule
Interconversion between ruthenacyclohexadiene and ruthenabenzene: A combined experimental and theoretical study
Mechanism, Reactivity, and Selectivity in Rh(III)-Catalyzed Phosphoryl-Directed Oxidative C-H Activation/Cyclization: A DFT Study
A Metal-Bridged Tricyclic Aromatic System: Synthesis of Osmium Polycyclic Aromatic Complexes
Concerted or Stepwise Mechanism? New Insight into the Water-Mediated Neutral Hydrolysis of Carbonyl Sulfide
Unconventional Facile Way to Metallanaphthalenes from Metal Indenyl Complexes Predicted by DFT Calculations: Origin of Their Different Thermodynamics and Tuning Their Kinetics by Substituents
G2(+)(M) Study on N-Alkylamino Cation Affinities of Neutral Main-Group Element Hydrides: Trends Across the Periodic Table
Theoretical Study on the Stability and Aromaticity of Metallasilapentalynes
In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study
Computations Offer an Unconventional Route to Metallaphosphabenzene from a Half-Phosphametallocene
Planar Mobius aromatic pentalenes incorporating 16 and 18 valence electron osmiums
Double role of the hydroxy group of phosphoryl in palladium(II)-catalyzed ortho -olefination: A combined experimental and theoretical investigation
Theoretical study on the stability of osmasilabenzynes
Mechanistic insight into the copper-catalyzed phosphorylation of terminal alkynes: A combined theoretical and experimental study
The phosphaethynolate anion reacts with unsaturated bonds: DFT investigations into [2+2], [3+2] and [4+2] cycloadditions
Pd-catalyzed highly regio-, diastereo-, and enantioselective allylic alkylation of alpha-fluorophosphonates
Synthesis of five-membered osmacycloallenes and conversion into six-membered osmacycloallenes
Mechanistic insight into the CO2 capture by amidophosphoranes: Interplay of the ring strain and the trans influence determines the reactivity of the frustrated lewis pairs
Interconversion of metallanaphthalynes and indenylidene complexes: A DFT prediction
Mechanistic insight into the nickel-catalyzed cross-coupling of aryl phosphates with arylboronic acids: Potassium phosphate is not a spectator base but is involved in the transmetalation step in the Suzuki-Miyaura reaction
Facile eta(5)-eta(1) Ring Slippage of the Cycloolefin Ligands in Osmocene and Bis(eta(5)-indenyl)ruthenium(II)
Aromaticity effects on the profiles of the lowest triplet-state potential-energy surfaces for rotation about the C=C bonds of olefins with five-membered ring substituents: An example of the impact of Baird's rule
Evaluation of Triplet Aromaticity by the Isomerization Stabilization Energy
Baird's rule on excited state (anti)aromaticity as a tool for rationalization of photophysical and photochemical properties and processes
Stabilization of anti-aromatic and strained five-membered rings with a transition metal
One-Pot Synthesis of Pyrazoles through a Four-Step Cascade Sequence
Conversions of osmabenzyne and isoosmabenzene
Ni(II)/Zn Catalyzed Reductive Coupling of Aryl Halides with Diphenylphosphine Oxide in Water
Stable Iso-osmabenzenes from a Formal 3+3 Cycloaddition Reaction of Metal Vinylidene with Alkynols
Theoretical study on reactions of O-3(+) and N-2: novel routes to dinitrogen bond activation
过渡金属引起的超共轭效应导致了最芳香的吲哚阳离子
中国化学会第30届学术年会摘要集-第十八分会:电子结构理论方法的发展与应用,,2016-07-01.钌(Ⅱ)催化磷酰基导向的C-H键活化反应机理的理论探究
中国化学会第30届学术年会摘要集-第四十五分会:物理有机,,2016-07-01.探索一个反芳香性的苯环:超共轭和屏蔽共振式的协同作用
中国化学会第30届学术年会摘要集-第四十五分会:物理有机,,2016-07-01.Si/P中性受阻路易斯酸碱对活化强键需要较低反应能的原因探究
中国化学会第30届学术年会摘要集-第四十五分会:物理有机,,2016-07-01.探究金属磷苯难以合成的根源:1,2-迁移变得相对容易
中国化学会第30届学术年会摘要集-第四十五分会:物理有机,,2016-07-01.离子迁移谱法快速筛查白酒和红酒中的15种塑化剂
检验检疫学刊,1674-5345,2016-06-20.离子迁移谱法测定饮料中的糖精钠和痕量马来酸
食品安全质量检测学报,2095-0381,2015-06-25.