Citation Impact
Citing Papers
Single-crystal x-ray diffraction structures of covalent organic frameworks
2018 StandoutScienceNobel
Synthesis and properties of gold alkene complexes. Crystal structure of [Au(bipyoXyl)(η2-CH2CHPh)](PF6) and DFT calculations on the model cation [Au(bipy)(η2-CH2CH2)]+
2006
Catalytic Carbophilic Activation: Catalysis by Platinum and Gold π Acids
2007 Standout
Recent advances in homogeneous nickel catalysis
2014 StandoutNature
Phosphane-stabilized gold clusters: investigation of the stability of [Au13(PMe2Ph)10Cl2]3+
2009
Main-group elements as transition metals
2010 StandoutNature
Density functional theory for transition metals and transition metal chemistry
2009
Reduction of the bulk modulus at high pressure in CrN
2009 StandoutNobel
Density-Functional Calculations of the Structure of Near-Surface Oxygen Vacancies and Electron Localization onCeO 2 ( 111 )
2009
A B3LYP-DBLOC empirical correction scheme for ligand removal enthalpies of transition metal complexes: parameterization against experimental and CCSD(T)-F12 heats of formation
2012
Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential
2009 Standout
Solution-phase counterion effects in supramolecular and mechanostereochemical systems
2010 StandoutNobel
Triphenylene‐Based Tris(N‐Heterocyclic Carbene) Ligand: Unexpected Catalytic Benefits
2013
An overview of N-heterocyclic carbenes
2014 StandoutNature
Stereochemical Communication within a Chiral Ion Pair Catalyst
2015 StandoutNobel
Structural design principles for self-assembled coordination polygons and polyhedra
2012
De novo structure-based design of anion receptors
2010
Screened hybrid density functionals for solid-state chemistry and physics
2008
3d Transition Metals for C–H Activation
2018 Standout
Valence shell charge concentrations and the Dewar–Chatt–Duncanson bonding model
2006
Interfacial Interactions of Semiconductor with Graphene and Reduced Graphene Oxide: CeO2 as a Case Study
2014
Early transition metal and lanthanide bis(iminophosphorano)methandiide complexes; ‘pincer’ and bridging bis(phosphorus) metal carbenes
2001
Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis
2016 Standout
Recent Advances in Electrocatalysts for Oxygen Reduction Reaction
2016 Standout
Metal-based anion receptors: an application of second-sphere coordination
2010
Trends of Oxygen Reduction Reaction on Platinum Alloys: A Computational and Experimental Study
2015
Combining theory and experiment in electrocatalysis: Insights into materials design
2017 StandoutScience
Hydroamination: Direct Addition of Amines to Alkenes and Alkynes
2008 Standout
CO2 photoreduction with H2O vapor on highly dispersed CeO2/TiO2 catalysts: Surface species and their reactivity
2016
Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
2012 Standout
Catalysis for the Valorization of Exhaust Carbon: from CO2to Chemicals, Materials, and Fuels. Technological Use of CO2
2013 Standout
C−H Activation for the Construction of C−B Bonds
2009 Standout
Gold-Catalyzed Cycloisomerizations of Enynes: A Mechanistic Perspective
2008 Standout
Electronic Structure of F-Doped Bulk Rutile, Anatase, and Brookite Polymorphs of TiO2
2012
On the difficulties of present theoretical models to predict the oxidation state of atomic Au adsorbed on regular sites of CeO2(111)
2009
Challenges for Density Functional Theory
2011 Standout
Oxygen Defects and Surface Chemistry of Ceria: Quantum Chemical Studies Compared to Experiment
2013
Ion Pairing in Transition-Metal Organometallic Chemistry
2005
C—H Bond Activation in Transition Metal Species from a Computational Perspective
2010
Carboxylate-Assisted Transition-Metal-Catalyzed C−H Bond Functionalizations: Mechanism and Scope
2011 Standout
Ligand Effects in Homogeneous Au Catalysis
2008 Standout
Density functional theory in surface chemistry and catalysis
2011 Standout
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
Emerging Two-Dimensional Nanomaterials for Electrocatalysis
2018 Standout
Palladium-Catalyzed Transformations of Alkyl C–H Bonds
2016 Standout
N-Heterocyclic Carbenes in Late Transition Metal Catalysis
2009 Standout
“Water-in-salt” electrolyte enables high-voltage aqueous lithium-ion chemistries
2015 StandoutScience
Low valent aluminum and gallium compounds—structural variety and coordination modes to transition metal fragments
2000
Catalytic Dehydrogenative Cross-Coupling: Forming Carbon−Carbon Bonds by Oxidizing Two Carbon−Hydrogen Bonds
2011 Standout
Electronic Structure and Charge Transfer in the TiO2 Rutile (110)/Graphene Composite Using Hybrid DFT Calculations
2017
Recent Developments in the Preparation and Chemistry of Metallacycles and Metallacages via Coordination
2015 Standout
Pd-Catalyzed N-Arylation of Secondary Acyclic Amides: Catalyst Development, Scope, and Computational Study
2009
Energy Partitioning Analysis of the Bonding in L2TM−C2H2and L2TM−C2H4(TM = Ni, Pd, Pt; L2= (PH3)2, (PMe3)2, H2PCH2PH2, H2P(CH2)2PH2)
2003
Synthesis and Characterization of the Nitrides of Platinum and Iridium
2006 Science
What can pKa and NBO charges of the ligands tell us about the water and thermal stability of metal organic frameworks?
2014
Cation-Dependent Gold Recovery with α-Cyclodextrin Facilitated by Second-Sphere Coordination
2016 StandoutNobel
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Ruthenium(II)-Catalyzed C–H Bond Activation and Functionalization
2012 Standout
The High Chemofidelity of Metal-Catalyzed Hydrogen Atom Transfer
2018
Unifying Kinetic and Thermodynamic Analysis of 2 e– and 4 e– Reduction of Oxygen on Metal Surfaces
2014
Understanding Catalytic Activity Trends in the Oxygen Reduction Reaction
2018 Standout
Nature of Ag Islands and Nanoparticles on the CeO2(111) Surface
2011
Coordination of Alkenes at a Highly Electrophilic Site. New Dicationic Platinum(II) Complexes: Synthesis, Structure, and Reactions with Nucleophiles
2002
Stereoelectronic parameters associated with N-heterocyclic carbene (NHC) ligands: A quest for understanding
2006
High Oxidation State Multiple Metal−Carbon Bonds
2001 StandoutNobel
First Cyclic Carbodiphosphoranes of Copper(I) and Gold(I) and Their Application in the Catalytic Cleavage of X−H Bonds (X = N and O)
2008
Controlled Ring-Opening Polymerization of Lactide and Glycolide
2004 Standout
Realistic Cluster Modeling of Electron Transport and Trapping in Solvated TiO2 Nanoparticles
2012 StandoutNobel
Oxygen vacancies in transition metal and rare earth oxides: Current state of understanding and remaining challenges
2007
Density Functional Theory Study of the Interaction of Cu, Ag, and Au Atoms with the Regular CeO2(111) Surface
2010
Influence of the exchange screening parameter on the performance of screened hybrid functionals
2006 Standout
Defect energetics in ZnO: A hybrid Hartree-Fock density functional study
2008
Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional
2005 Standout
Isotope Effects and the Nature of Stereo- and Regioselectivity in Hydroaminations of Vinylarenes Catalyzed by Palladium(II)−Diphosphine Complexes
2004
Broad Family of Carbon Nanoallotropes: Classification, Chemistry, and Applications of Fullerenes, Carbon Dots, Nanotubes, Graphene, Nanodiamonds, and Combined Superstructures
2015 Standout
Applications of Palladium-Catalyzed C–N Cross-Coupling Reactions
2016 Standout
Aromatic Trifluoromethylation with Metal Complexes
2011 Standout
Ruthenium-Based Heterocyclic Carbene-Coordinated Olefin Metathesis Catalysts
2009 StandoutNobel
Exceptional Sensitivity of Metal−Aryl Bond Energies to ortho-Fluorine Substituents: Influence of the Metal, the Coordination Sphere, and the Spectator Ligands on M−C/H−C Bond Energy Correlations
2009
Exact decoupling of the relativistic Fock operator
2012
25th Anniversary Article: Chemically Modified/Doped Carbon Nanotubes & Graphene for Optimized Nanostructures & Nanodevices
2013
Formation of Superoxide Anions on Ceria Nanoparticles by Interaction of Molecular Oxygen with Ce3+ Sites
2011
Orbital-dependent density functionals: Theory and applications
2008
Cocatalysts for Selective Photoreduction of CO2into Solar Fuels
2019 Standout
The Nature of the Bonding in Transition-Metal Compounds
2000
Hybrid functionals with local range separation
2008
Mn-, Fe-, and Co-Catalyzed Radical Hydrofunctionalizations of Olefins
2016
Fundamentals and Catalytic Applications of CeO2-Based Materials
2016 Standout
Thermodynamic, kinetic, and structural factors in the synthesis of imine-linked dynamic covalent frameworks
2011
Transition metal complexes of boron — synthesis, structure and reactivity
2001
Direct C−H Transformation via Iron Catalysis
2010 Standout
Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal–Organic Framework-177
2015 StandoutNobel
Magnetic hysteresis up to 80 kelvin in a dysprosium metallocene single-molecule magnet
2018 StandoutScience
The mechanism of directed Ni(ii )-catalyzed C–H iodination with molecular iodine
2017
Transition metal boryl and borylene complexes: substitution and abstraction chemistry
2004
Phase-dependent enhancement for CO2photocatalytic reduction over CeO2/TiO2catalysts
2016
The Significance of π Interactions in Group 11 Complexes with N-Heterocyclic Carbenes
2004
Modeling doped and defective oxides in catalysis with density functional theory methods: Room for improvements
2008
Rational Design of Pt3Ni Surface Structures for the Oxygen Reduction Reaction
2015
Gold-Catalyzed Organic Transformations
2008 Standout
Proton-Coupled Electron Transfer
2012 Standout
Theory of multiple proton–electron transfer reactions and its implications for electrocatalysis
2013
Atomically Precise Clusters of Noble Metals: Emerging Link between Atoms and Nanoparticles
2017 Standout
Works of Jamal Uddin being referenced
Screened exchange hybrid density-functional study of the work function of pristine and doped single-walled carbon nanotubes
2006
Theoretical study of ZnO phases using a screened hybrid density functional
2006
Intramolecular Hydroalkoxylation and Hydroamination of Alkynes Catalyzed by Cu(I) Complexes Supported by N-Heterocyclic Carbene Ligands
2012
Solvation and Zero-Point-Energy Effects on OH(ads) Reduction on Pt(111) Electrodes
2010
Nature of the Chemical Bond between a Transition Metal and a Group-13 Element: Structure and Bonding of Transition Metal Complexes with Terminal Group-13 Diyl Ligands ER (E = B to Tl; R = Cp, N(SiH3)2, Ph, Me)
2000
Density functional theory study of bulk platinum monoxide
2005
Structures and electronic properties of platinum nitride by density functional theory
2005
Computational Studies of Metal−Ligand Bond Enthalpies across the Transition Metal Series
2006
Synthesis and Structure of [Ni{Ga−C(SiMe3)3}4] and Quantum-Chemical Verification of Strong π Back-Bonding in the Model Compounds [Ni(EMe)4] (E = B, Al, Ga, In, Tl)
1999
Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional
2006
Energy Analysis of Metal-Ligand Bonding in Transition Metal Complexes with Terminal Group-13 Diyl Ligands (CO)4Fe-ER, Fe(EMe)5and Ni(EMe)4(E = B−Tl; R = Cp, N(SiH3)2, Ph, Me) Reveals Significant π Bonding in Homoleptical Molecules
2001
Heavy-Atom Kinetic Isotope Effects, Cocatalysts, and the Propagation Transition State for Polymerization of 1-Hexene Using the rac-(C2H4(1-indenyl)2)ZrMe2 Catalyst Precursor
2002
Scalar relativistic all-electron density functional calculations on periodic systems
2005
Reaction of Carbodiphosphorane Ph3PCPPh3 with Ni(CO)4. Experimental and Theoretical Study of the Structures and Properties of (CO)3NiC(PPh3)2 and (CO)2NiC(PPh3)2
1999
Energy storage capacity of polymeric nitrogen
2006
Effective Reversible Potentials and Onset Potentials for O2 Electroreduction on Transition Metal Electrodes: Theoretical Analysis
2012
Quantum mechanical modelling of alkene hydroformylation as catalyzed by xantphos-Rh complexesBased on the presentation given at Dalton Discussion No. 4, 10–13th January 2002, Kloster Banz, Germany.
2002
Search for Improved Host Architectures: Application of de Novo Structure-Based Design and High-Throughput Screening Methods To Identify Optimal Building Blocks for Multidentate Ethers
2005
Nature of the Metal−Alkene Bond in Platinum Complexes of Strained Olefins
1999