Citation Impact
Citing Papers
Microenvironmental modulation breaks intrinsic pH limitations of nanozymes to boost their activities
2024 StandoutNobel
QM/MM Methods for Biomolecular Systems
2009 Standout
Absolute Rate Calculations: Atom and Proton Transfers in Hydrogen‐Bonded Systems
2005
Graphene quantum dots: emergent nanolights for bioimaging, sensors, catalysis and photovoltaic devices
2012 Standout
Fused perylenebisimide–carbazole: new ladder chromophores with enhanced third-order nonlinear optical activities
2011
De novo design of luciferases using deep learning
2023 StandoutNatureNobel
Coarse-grained molecular models of water: a review
2012
A hollow tetrahedral cage of hexadecagold dianion provides a robust backbone for a tuneable sub-nanometer oxidation and reduction agent via endohedral doping
2006
Regulation of Ferroptotic Cancer Cell Death by GPX4
2014 Standout
Lanthanide luminescence for functional materials and bio-sciences
2009 Standout
Nucleic acid solvation: from outside to insight
2007
Surface tuning for oxide-based nanomaterials as efficient photocatalysts
2013
Dynamics of the base of ribosomal A-site finger revealed by molecular dynamics simulations and Cryo-EM
2009 StandoutNobel
Reactions of Hypervalent Iodonium Alkynyl Triflates with Azides: Generation of Cyanocarbenes
2012
Highly ordered mesoporous titania–zirconia photocatalyst for applications in degradation of rhodamine-B and hydrogen evolution
2009
ExCage
2014 StandoutNobel
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
The studies on the two-photon absorption cross-sections and the second hyperpolarizabilities of multi-branched stilbene derivatives
2002
Absolute Rate Calculations for Atom Abstractions by Radicals: Energetic, Structural and Electronic Factors
2003
Novel Multifunctional Polymers from Aromatic Diamines by Oxidative Polymerizations
2002
Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis
2016 Standout
Theoretical Methods of Potential Use for Studies of Inorganic Reaction Mechanisms
2005
Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters
2015
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
2007 Standout
Chirality in curved polyaromatic systems
2017 StandoutNobel
Supramolecular Polymerization
2009 Standout
Computer Simulation of Liquids
2017 Standout
Atomically Precise Colloidal Metal Nanoclusters and Nanoparticles: Fundamentals and Opportunities
2016 Standout
Complexation of Polyoxometalates with Cyclodextrins
2015 StandoutNobel
Titanium Dioxide-Based Nanomaterials for Photocatalytic Fuel Generations
2014 Standout
Nanozymes: Classification, Catalytic Mechanisms, Activity Regulation, and Applications
2019 Standout
Directing the self-assembly of block copolymers
2007
Endohedral Fullerenes
2013
Lanthanide Luminescence for Biomedical Analyses and Imaging
2010 Standout
Experimental Support for a Single Electron-Transfer Oxidation Mechanism in Firefly Bioluminescence
2015
Hybrid photocatalysts using graphitic carbon nitride/cadmium sulfide/reduced graphene oxide (g-C3N4/CdS/RGO) for superior photodegradation of organic pollutants under UV and visible light
2014
Bicorannulenyl: Stereochemistry of a C40H18 Biaryl Composed of Two Chiral Bowls
2008
Bis-N-annulated Quaterrylenebis(dicarboximide) as a New Soluble and Stable Near-Infrared Dye
2009
Multiple Functional Groups of Varying Ratios in Metal-Organic Frameworks
2010 StandoutScienceNobel
Supramolecular Chirality in Self-Assembled Systems
2015 Standout
Second-Order Nonlinear Optical Properties of Polyoxometalate Salts of a Chiral Stilbazolium Derivative
2009
Challenges for Density Functional Theory
2011 Standout
Aggregation-Induced Emission: Together We Shine, United We Soar!
2015 Standout
C—H Bond Activation in Transition Metal Species from a Computational Perspective
2010
IBIsCO: A molecular dynamics simulation package for coarse‐grained simulation
2011
Carboxylate-Assisted Transition-Metal-Catalyzed C−H Bond Functionalizations: Mechanism and Scope
2011 Standout
Electrophilicity Index
2006 Standout
Functional Nanomaterials for Phototherapies of Cancer
2014 Standout
Palladium-Catalyzed Transformations of Alkyl C–H Bonds
2016 Standout
Structures and bonding patterns of nanoannular carbon clusters (C4–C20) through AIM analyses
2009
Electrophilic Trifluoromethylation of Primary Phosphines: Synthesis of a P-Bis(trifluoromethyl) Derivative of BINAP
2010
Chiral polyoxometalate-based materials: From design syntheses to functional applications
2012
A Quantum Mechanical Study of the Second‐Order Nonlinear Optical Properties of Aryldiazenido‐Substituted Hexamolybdates: A Surprising Charge Transfer
2009
Catalytic Dehydrogenative Cross-Coupling: Forming Carbon−Carbon Bonds by Oxidizing Two Carbon−Hydrogen Bonds
2011 Standout
Syntheses, Crystal Structures, and Spectroscopic Studies of Aromatic Ester Derivatives of Hexamolybdate
2009
Helicenes: Synthesis and Applications
2011 Standout
Hybrid Organic−Inorganic Polyoxometalate Compounds: From Structural Diversity to Applications
2010 Standout
Unpaired and σ Bond Electrons as H, Cl, and Li Bond Acceptors: An Anomalous One-Electron Blue-Shifting Chlorine Bond
2007
Electrophilic Trifluoromethylation by Use of Hypervalent Iodine Reagents
2014 Standout
A unified view of ligand-protected gold clusters as superatom complexes
2008 Standout
Ordered mesoporous CeO2-TiO2 composites: Highly efficient photocatalysts for the reduction of CO2 with H2O under simulated solar irradiation
2012
Aerobic Copper-Catalyzed Organic Reactions
2013 Standout
Photocatalysts of 3D Ordered Macroporous TiO2-Supported CeO2 Nanolayers: Design, Preparation, and Their Catalytic Performances for the Reduction of CO2 with H2O under Simulated Solar Irradiation
2014
Ruthenium(II)-Catalyzed C–H Bond Activation and Functionalization
2012 Standout
Multiphoton Absorbing Materials: Molecular Designs, Characterizations, and Applications
2008 Standout
What Is Responsible for the Initiating Chemistry of Iron-Mediated Lipid Peroxidation: An Update
2007
Self-Assembly of Amphiphilic Plasmonic Micelle-Like Nanoparticles in Selective Solvents
2013
Theoretical Study on the Structure and Stability of Some Unusual Boron−Nitrogen Helices
2008
Semiconductor-based Photocatalytic Hydrogen Generation
2010 Standout
Unusual halogen-bonded complex FBrδ+⋯Brδ+F and hydrogen-bonded complex FBrδ+⋯Hδ+F formed by interactions between two positively charged atoms of different polar molecules
2007
Advances in Synthetic Applications of Hypervalent Iodine Compounds
2016 Standout
Graphitic Carbon Nitride (g-C3N4)-Based Photocatalysts for Artificial Photosynthesis and Environmental Remediation: Are We a Step Closer To Achieving Sustainability?
2016 Standout
Theoretical investigation on the two-photon absorption of C60
2004
Broad Family of Carbon Nanoallotropes: Classification, Chemistry, and Applications of Fullerenes, Carbon Dots, Nanotubes, Graphene, Nanodiamonds, and Combined Superstructures
2015 Standout
Light-Controlled Radical Polymerization: Mechanisms, Methods, and Applications
2016 Standout
Surface-initiated controlled polymerization as a convenient method for designing functional polymer brushes: From self-assembled monolayers to patterned surfaces
2011
The Halogen Bond
2016 Standout
Density Functionals with Broad Applicability in Chemistry
2008 Standout
Cocatalysts for Selective Photoreduction of CO2into Solar Fuels
2019 Standout
Adiabatic Connection for Kinetics
2000
Hydrogen bond and halogen bond inside the carbon nanotube
2011
Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450
2003
Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications
2016 Standout
Entropy-Driven Pattern Formation of Hybrid Vesicular Assemblies Made from Molecular and Nanoparticle Amphiphiles
2014
Construction of GPx Active Centers on Natural Protein Nanodisk/Nanotube: A New Way to Develop Artificial Nanoenzyme
2012
Development of a quantitative theory of polycondensation
2004
Prediction of Remarkably Large Second-Order Nonlinear Optical Properties of Organoimido-Substituted Hexamolybdates
2009
AMBER Empirical Potential Describes the Geometry and Energy of Noncovalent Halogen Interactions Better than Advanced Semiempirical Quantum Mechanical Method PM6-DH2X
2012
Proton-Coupled Electron Transfer
2012 Standout
Self-Assembly of Colloidal Nanocrystals: From Intricate Structures to Functional Materials
2016 Standout
Atomically Precise Clusters of Noble Metals: Emerging Link between Atoms and Nanoparticles
2017 Standout
Chloroperoxidase-Catalyzed Epoxidation ofcis-β-Methylstyrene: Distal Pocket Flexibility Tunes Catalytic Reactivity
2012
Structure and Chemistry of Cytochrome P450
2005 Standout
Works of Chia‐Chung Sun being referenced
Molecular dynamics analysis of the engrailed homeodomain–DNA recognition
2006
C68 Fullerene Isomers, Anions, and their Metallofullerenes: Charge‐Stabilizing Different Isomers
2008
Dissipative particle dynamics study on the morphology changes of diblock copolymer lamellar microdomains due to steady shear
2006
A molecular dynamics analysis of the GCC-box binding domain in ethylene-responsive element binding factors
2006
Role of each residue in catalysis in the active site of pyrimidine nucleoside phosphorylase from Bacillus subtilis: A hybrid QM/MM study
2006
Molecular simulation studies of a selenium-containing scFv catalytic antibody that mimics glutathione peroxidase
2004
Multi-modal mesoporous TiO2–ZrO2composites with high photocatalytic activity and hydrophilicity
2007
Direct Ab Initio Dynamics Studies of the Reaction Paths and Rate Constants of Hydrogen Atom with Germane and Silane
2000
Shape Effect of Graphene Quantum Dots on Enhancing Second-Order Nonlinear Optical Response and Spin Multiplicity in NH2–GQD–NO2Systems
2011
New Acceptor–Bridge–Donor Strategy for Enhancing NLO Response with Long-Range Excess Electron Transfer from the NH2...M/M3O Donor (M = Li, Na, K) to Inside the Electron Hole Cage C20F19 Acceptor through the Unusual σ Chain Bridge (CH2)4
2013
Study of π Halogen Bonds in Complexes C2H4-nFn−ClF (n = 0−2)
2005
Theoretical study for (BN)10 isomers and (BN) C20−2 ring structures
2005
Flory-Stockmayer Distribution and Scaling Study
1991
Direct ab Initio Dynamics Study on the Hydrogen Abstraction Reaction of CH3CCl3 + OH → CH2CCl3 + H2O
2003
Theoretical Studies on the Reaction Path Dynamics and Variational Transition-State Theory Rate Constants of the Hydrogen-Abstraction Reactions of the NH(X3Σ-) Radical with Methane and Ethane
1999
An Automatic Coarse-Graining and Fine-Graining Simulation Method: Application on Polyethylene
2006
Aa-Bb-type Stockmayer distribution and scaling study
1991
First-principles studies ofAl Pb n Al Pb n + ( n = 1 – 12 )
2007
Stability and properties of planar carbon clusters
2006
Theoretical Studies on Low-Lying Electronic States of Cyanocarbene HCCN and Its Ionic States
2008
Theoretical study of one-photon and two-photon absorption properties of perylene tetracarboxylic derivatives
2008
Is the C2H+H2O Reaction Anomalous?
2001
Mesoporous TiO2/α-Fe2O3: Bifunctional Composites for Effective Elimination of Arsenite Contamination through Simultaneous Photocatalytic Oxidation and Adsorption
2008
On the curing theory and the scaling study of the polycondensation reaction of Aa1...Aas-Bb1...Bb+ type
1988
Theoretical Elucidation of the Platinum-Mediated Arene C−H Activation Reactions
2007
Super-valence phenomenon of carbon atoms in C20 molecule
2006
Single-electron hydrogen bonds in the methyl radical complexes H3C⋯HF and H3C⋯HCCH: an ab initio study
2003
A comparative study of two-photon properties of zinc(II)-porphyrin, meso–meso singly-linked zinc(II)-diporphyrin and zinc(II) meso,meso-coupled porphyrin dimer via hydrogen bonding interactions
2006
Do single-electron lithium bonds exist? Prediction and characterization of the H3C⋯Li–Y (Y=H, F, OH, CN, NC, and CCH) complexes
2006
Theoretical Study on the Considerable Second-Order Nonlinear Optical Properties of Naphthylimido-Substituted Hexamolybdates
2008
The formation and decomposition of firefly dioxetanone
2011
Theoretical Study and Rate Constant Calculation of the Cl + HOCl and H + HOCl Reactions
2003
Theoretical studies on the one- and two-photon absorption of symmetrical stilbene derivatives
2000
On the polycondensation reaction of Aa-BbCc type
1991
Computer Simulation of Cyclic Block Copolymer Microphase Separation
2005
The effects of Lowe–Andersen temperature controlling method on the polymer properties in mesoscopic simulations
2005
Dependence of multiplicity on conformation: ground states of o-, m- and p-phenylenediamine dications
1999
Influence of Surface-Initiated Polymerization Rate and Initiator Density on the Properties of Polymer Brushes
2009
Theoretical study of the P-Ylide reaction in the carbon nanotube
2009
Special stability of cationic MPb12+ clusters and superalkali character of neutral MPb12 clusters (M=B, Al, Ga, In, and Tl)
2006
Direct Dynamics Study on the Hydrogen Abstraction Reaction PH3 + H → PH2 + H2
1999
Mechanism Insights of Ethane C–H Bond Activations by Bare [FeIII═O]+: Explicit Electronic Structure Analysis
2012