Standout Papers
Citation Impact
Citing Papers
Formylglycine-generating enzyme binds substrate directly at a mononuclear Cu(I) center to initiate O 2 activation
2019 StandoutNobel
Design and Synthesis of Highly Reactive Dienophiles for the Tetrazine– trans- Cyclooctene Ligation
2011
Diversity oriented clicking delivers β-substituted alkenyl sulfonyl fluorides as covalent human neutrophil elastase inhibitors
2022 StandoutNobel
Copper-free click chemistry in living animals
2010 StandoutNobel
Metal‐Free Synthesis of Functional 1‐Substituted‐1,2,3‐Triazoles from Ethenesulfonyl Fluoride and Organic Azides
2019
Catalytic Hydroetherification of Unactivated Alkenes Enabled by Proton‐Coupled Electron Transfer
2020
Reconstitution of Formylglycine-generating Enzyme with Copper(II) for Aldehyde Tag Conversion
2015
Activation Strain Analysis of SN2 Reactions at C, N, O, and F Centers
2017
Enhanced clickability of doubly sterically-hindered aryl azides
2011
Green Asymmetric Oxidation Using Air as Oxidant
2013
Bioorthogonal Chemistry: Fishing for Selectivity in a Sea of Functionality
2009 StandoutNobel
A Visible‐Light‐Mediated Oxidative CN Bond Formation/Aromatization Cascade: Photocatalytic Preparation of N‐Arylindoles
2012
Imaging beyond the proteome
2012 StandoutNobel
Exploiting attractive non-covalent interactions for the enantioselective catalysis of reactions involving radical intermediates
2020
Switchable Diastereoselectivity in Enantioselective [4+2] Cycloadditions with Simple Olefins by Asymmetric Binary Acid Catalysis
2013
Catalytic Enantioselective 1,2‐Diboration of 1,3‐Dienes: Versatile Reagents for Stereoselective Allylation
2011
Catalytic Asymmetric Benzidine Rearrangement
2013 StandoutNobel
Benign Catalysis with Iron: Unique Selectivity in Catalytic Isomerization Reactions of Olefins
2012
Highly Enantioselective Kinetic Resolution of Axially Chiral BINAM Derivatives Catalyzed by a Brønsted Acid
2014
DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections
2011
Kinetic Resolution of 1,1′‐Biaryl‐2,2′‐Diols and Amino Alcohols through NHC‐Catalyzed Atroposelective Acylation
2014
Cyclooctyne-based reagents for uncatalyzed click chemistry: A computational survey
2009
Bioorthogonal chemistry: strategies and recent developments
2013
Strain‐Accelerated Formation of Chiral, Optically Active Buta‐1,3‐dienes
2014
Asymmetric Binary‐Acid Catalysis with InBr3 in the Inverse‐Electron‐Demanding Hetero‐Diels–Alder Reaction of Mono‐ and Bis‐Substituted Cyclopentadienes: Remote Fluoro‐Effect on Stereocontrol
2011
Ene‐ene‐yne Reactions: Activation Strain Analysis and the Role of Aromaticity
2014
Synthesis and Reactivity Comparisons of 1‐Methyl‐3‐Substituted Cyclopropene Mini‐tags for Tetrazine Bioorthogonal Reactions
2014
Isomeric Cyclopropenes Exhibit Unique Bioorthogonal Reactivities
2013
Alder‐ene reaction: Aromaticity and activation‐strain analysis
2011
Dual Catalysis Sees the Light: Combining Photoredox with Organo‐, Acid, and Transition‐Metal Catalysis
2014
Density functional theory for transition metals and transition metal chemistry
2009
Activation of Carboxylic Acids in Asymmetric Organocatalysis
2014 StandoutNobel
Asymmetric binary acid catalysis: chiral phosphoric acid as dual ligand and acid
2012
Synthesis with Perfect Atom Economy: Generation of Diazo Ketones by 1,3‐Dipolar Cycloaddition of Nitrous Oxide at Cyclic Alkynes under Mild Conditions
2011
Strain‐Promoted Alkyne–Azide Cycloadditions (SPAAC) Reveal New Features of Glycoconjugate Biosynthesis
2011
Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals
2009
Cycloaddition Reactions of Butadiene and 1,3‐Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers
2009
The Nature of Lithium Battery Materials under Oxygen Evolution Reaction Conditions
2012
Cu-free click cycloaddition reactions in chemical biology
2010 StandoutNobel
Strain-promoted double-click reaction for chemical modification of azido-biomolecules
2010
Thiacycloalkynes for Copper‐Free Click Chemistry
2012 StandoutNobel
Indolyne and Aryne Distortions and Nucleophilic Regioselectivites
2010
Hydrogen‐Abstraction Reactivity Patterns from A to Y: The Valence Bond Way
2012
C–H⋯O non-classical hydrogen bonding in the stereomechanics of organic transformations: theory and recognition
2013
Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry
2012 StandoutNobel
Catalyst‐Directed Diastereo‐ and Site‐Selectivity in Successive Nucleophilic and Electrophilic Allylations of Chiral 1,3‐Diols: Protecting‐Group‐Free Synthesis of Substituted Pyrans
2014
Understanding the Reactivity of Endohedral Metallofullerenes: C78 versus Sc3N@C78
2015
Dynamics of 1,3‐Dipolar Cycloaddition Reactions of Diazonium Betaines to Acetylene and Ethylene: Bending Vibrations Facilitate Reaction
2009
Why Do Cycloaddition Reactions Involving C60 Prefer [6,6] over [5,6] Bonds?
2013
Experimental Diels–Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained through Transition‐State Distortion Energies
2011
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Iron Catalysis in Organic Synthesis
2015 Standout
Synthese mit perfekter Atomökonomie: Erzeugung von Diazoketonen durch 1,3‐dipolare Cycloaddition von Distickstoffmonoxid an cyclische Alkine unter milden Bedingungen
2011
Catalytic Asymmetric Dearomatizing Redox Cross Coupling of Ketones with Aryl Hydrazines Giving 1,4-Diketones
2015 StandoutNobel
Why Alkynyl Substituents Dramatically Accelerate Hexadehydro-Diels–Alder (HDDA) Reactions: Stepwise Mechanisms of HDDA Cycloadditions
2014
Toward the rational design of non-precious transition metal oxides for oxygen electrocatalysis
2015 Standout
Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2]+ (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer
2016
Diels–Alder Reactivities of Strained and Unstrained Cycloalkenes with Normal and Inverse-Electron-Demand Dienes: Activation Barriers and Distortion/Interaction Analysis
2013
Enantioselectivity in Catalytic Asymmetric Fischer Indolizations Hinges on the Competition of π-Stacking and CH/π Interactions
2015
Mechanisms for DNA Charge Transport
2009
Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer
2020
Enhanced Reactivity in Dioxirane C–H Oxidations via Strain Release: A Computational and Experimental Study
2013
A Clear Correlation between the Diradical Character of 1,3-Dipoles and Their Reactivity toward Ethylene or Acetylene
2010
Molecular Iridium Complexes in Metal–Organic Frameworks Catalyze CO2 Hydrogenation via Concerted Proton and Hydride Transfer
2017
Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
2017 Standout
Combining theory and experiment in electrocatalysis: Insights into materials design
2017 StandoutScience
The Mechanism of Water Oxidation: From Electrolysis via Homogeneous to Biological Catalysis
2010 Standout
From Mechanism to Mouse: A Tale of Two Bioorthogonal Reactions
2011 StandoutNobel
Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions
2016
Synthesis of Carbazoles by a Merged Visible Light Photoredox and Palladium-Catalyzed Process
2015
Brønsted Acid Catalyzed Enantioselective Indole Aza-Claisen Rearrangement Mediated by an Arene CH–O Interaction
2013
Dichotomous Hydrogen Atom Transfer vs Proton-Coupled Electron Transfer During Activation of X–H Bonds (X = C, N, O) by Nonheme Iron–Oxo Complexes of Variable Basicity
2013
The Organocatalytic Approach to Enantiopure 2H‐ and 3H‐Pyrroles: Inhibitors of the Hedgehog Signaling Pathway
2016 StandoutNobel
Enantioselective Synthesis of Pyrroloindolines via Noncovalent Stabilization of Indole Radical Cations and Applications to the Synthesis of Alkaloid Natural Products
2018
Origins of Stereoselectivities in Chiral Phosphoric Acid Catalyzed Allylborations and Propargylations of Aldehydes
2013
Activation Mode and Origin of Selectivity in Chiral Phosphoric Acid-Catalyzed Oxacycle Formation by Intramolecular Oxetane Desymmetrizations
2017
Programmed assembly of 3-dimensional microtissues with defined cellular connectivity
2009 StandoutNobel
Distortion/Interaction Analysis Reveals the Origins of Selectivities in Iridium-Catalyzed C–H Borylation of Substituted Arenes and 5-Membered Heterocycles
2014
Catalytic Olefin Hydroamidation Enabled by Proton-Coupled Electron Transfer
2015
Challenges for Density Functional Theory
2011 Standout
Homologation of the Fischer Indolization: A Quinoline Synthesis via Homo‐Diaza‐Cope Rearrangement
2020 StandoutNobel
Enantioselective Photoredox Catalysis Enabled by Proton-Coupled Electron Transfer: Development of an Asymmetric Aza-Pinacol Cyclization
2013
Unveiling the Delicate Balance of Steric and Dispersion Interactions in Organocatalysis Using High-Level Computational Methods
2020 StandoutNobel
Reactivity and Selectivity of Bowl‐Shaped Polycyclic Aromatic Hydrocarbons: Relationship to C60
2015
Chiral phosphoric acid catalysis: from numbers to insights
2018
Catalytic Asymmetric Benzidine Rearrangement
2013 StandoutNobel
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
2017
Short O–O separation in layered oxide Na 0.67 CoO 2 enables an ultrafast oxygen evolution reaction
2019 StandoutNobel
Activation of C–H Bonds via the Merger of Photoredox and Organocatalysis: A Coupling of Benzylic Ethers with Schiff Bases
2014
Cooperative Reactivity in an Extended-Viologen-Based Cyclophane
2016 StandoutNobel
Development and Applications of Disulfonimides in Enantioselective Organocatalysis
2015 StandoutNobel
Carboxylate-Assisted Transition-Metal-Catalyzed C−H Bond Functionalizations: Mechanism and Scope
2011 Standout
The activation strain model and molecular orbital theory
2015
De novo design of protein homo-oligomers with modular hydrogen-bond network–mediated specificity
2016 StandoutScienceNobel
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin
2010 StandoutNobel
Dynamics of 1,3‐Dipolar Cycloaddition Reactions of Diazonium Betaines to Acetylene and Ethylene: Bending Vibrations Facilitate Reaction
2009
Carbon capture and conversion using metal–organic frameworks and MOF-based materials
2019 StandoutNobel
O-Cyclopropyl hydroxylamines: gram-scale synthesis and utility as precursors for N-heterocycles
2020
Alkene Distortion Energies and Torsional Effects Control Reactivities, and Stereoselectivities of Azide Cycloadditions to Norbornene and Substituted Norbornenes
2012
Diels–Alder Reactions of Allene with Benzene and Butadiene: Concerted, Stepwise, and Ambimodal Transition States
2014
Imaging bacterial peptidoglycan with near-infrared fluorogenic azide probes
2014 StandoutNobel
Enzymatic construction of highly strained carbocycles
2018 StandoutScienceNobel
Indolyne Experimental and Computational Studies: Synthetic Applications and Origins of Selectivities of Nucleophilic Additions
2010
A Pictet-Spengler ligation for protein chemical modification
2012 StandoutNobel
Rapid Cu-Free Click Chemistry with Readily Synthesized Biarylazacyclooctynones
2010 StandoutNobel
Quantitative Structure–Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future
2019
Reversible Photocontrol of Biological Systems by the Incorporation of Molecular Photoswitches
2013 StandoutNobel
How Doped MoS2 Breaks Transition-Metal Scaling Relations for CO2 Electrochemical Reduction
2016
Cyclopropenation of internal alkynylsilanes and diazoacetates catalyzed by copper(i ) N-heterocyclic carbene complexes
2016
Diastereoselective Allylation of Carbonyl Compounds and Imines: Application to the Synthesis of Natural Products
2013 Standout
The activation strain model and molecular orbital theory: understanding and designing chemical reactions
2014
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Mechanistic Studies of the Oxygen Evolution Reaction by a Cobalt-Phosphate Catalyst at Neutral pH
2010
Concerted vs Stepwise Mechanisms in Dehydro-Diels–Alder Reactions
2011
Type‐I Dyotropic Reactions: Understanding Trends in Barriers
2012
Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics
2008
Steric Effects Compete with Aryne Distortion To Control Regioselectivities of Nucleophilic Additions to 3-Silylarynes
2012
Confined acids catalyze asymmetric single aldolizations of acetaldehyde enolates
2018 StandoutScienceNobel
Origin of Reactivity Trends of Noble Gas Endohedral Fullerenes Ng2@C60 (Ng = He to Xe)
2014
Organokatalytische Synthese von enantiomerenreinen 2H‐ und 3H‐Pyrrolen: Inhibitoren des Hedgehog‐Signalwegs
2016 StandoutNobel
A General Database for Main Group Thermochemistry, Kinetics, and Noncovalent Interactions − Assessment of Common and Reparameterized (meta-)GGA Density Functionals
2009
Wasserstoffatomabstraktion von A bis Y: Reaktionsmuster nach der Valenzstrukturtheorie
2012
Dual Catalysis Strategies in Photochemical Synthesis
2016 Standout
Distortion-accelerated cycloadditions and strain-release-promoted cycloreversions in the organocatalytic carbonyl-olefin metathesis
2013
Superoxide Ion: Generation and Chemical Implications
2016 Standout
Distortion-Controlled Reactivity and Molecular Dynamics of Dehydro-Diels–Alder Reactions
2016
Carbonsäureaktivierung in der asymmetrischen Organokatalyse
2014 StandoutNobel
Reaction Mechanism and Regioselectivity of the Bingel–Hirsch Addition of Dimethyl Bromomalonate to La@C2v‐C82
2016
Complete Field Guide to Asymmetric BINOL-Phosphate Derived Brønsted Acid and Metal Catalysis: History and Classification by Mode of Activation; Brønsted Acidity, Hydrogen Bonding, Ion Pairing, and Metal Phosphates
2014 Standout
Importance of Electrostatic Effects in the Stereoselectivity of NHC-Catalyzed Kinetic Resolutions
2017
Activation of olefins via asymmetric Brønsted acid catalysis
2018 StandoutScienceNobel
Selective C−H and C−C Bond Activation: Electronic Regimes as a Tool for Designing d10 MLn Catalysts
2015
(4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature
2015
Iron(II)-Catalyzed Benzylic Fluorination
2013
C−H Bond Activations by Metal Oxo Compounds
2010
Control and Design of Mutual Orthogonality in Bioorthogonal Cycloadditions
2012
Cu-Catalyzed Azide−Alkyne Cycloaddition
2008 StandoutNobel
Experimental Diels–Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained through Transition‐State Distortion Energies
2011
Solar Synthesis: Prospects in Visible Light Photocatalysis
2014 StandoutScience
Origins of Selectivity and General Model for Chiral Phosphoric Acid-Catalyzed Oxetane Desymmetrizations
2016
A General Strategy for Organocatalytic Activation of C–H Bonds via Photoredox Catalysis: Direct Arylation of Benzylic Ethers
2013
Hydrogen Bonding Networks Tune Proton-Coupled Redox Steps during the Enzymatic Six-Electron Conversion of Nitrite to Ammonia
2014
The Role of Aryne Distortions, Steric Effects, and Charges in Regioselectivities of Aryne Reactions
2014
Surface Functionalization Using Catalyst-Free Azide−Alkyne Cycloaddition
2010
Entropy versus tether strain effects on rates of intramolecular 1,3-dipolar cycloadditions of N-alkenylnitrones
2010
Second-Generation Difluorinated Cyclooctynes for Copper-Free Click Chemistry
2008 StandoutNobel
Hyperconjugative, Secondary Orbital, Electrostatic, and Steric Effects on the Reactivities and Endo and Exo Stereoselectivities of Cyclopropene Diels–Alder Reactions
2016
A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles
2011 StandoutScienceNobel
Catalytic Alkene Carboaminations Enabled by Oxidative Proton-Coupled Electron Transfer
2015
CO2 photo-reduction: insights into CO2 activation and reaction on surfaces of photocatalysts
2016 Standout
Recent advances and new concepts for the synthesis of axially stereoenriched biaryls
2015 Standout
Catalytic Ketyl-Olefin Cyclizations Enabled by Proton-Coupled Electron Transfer
2013
Photoinducible Bioorthogonal Chemistry: A Spatiotemporally Controllable Tool to Visualize and Perturb Proteins in Live Cells
2011
Chemical Glycoproteomics
2016 StandoutNobel
Electrochemical Water Oxidation with Cobalt-Based Electrocatalysts from pH 0–14: The Thermodynamic Basis for Catalyst Structure, Stability, and Activity
2011
Transition State Distortion Energies Correlate with Activation Energies of 1,4-Dihydrogenations and Diels−Alder Cycloadditions of Aromatic Molecules
2009
Selective Transition State Stabilization via Hyperconjugative and Conjugative Assistance: Stereoelectronic Concept for Copper-Free Click Chemistry
2011
Computational Methods To Calculate Accurate Activation and Reaction Energies of 1,3-Dipolar Cycloadditions of 24 1,3-Dipoles
2011
In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co 2+
2008 StandoutScience
Bioorthogonale Chemie – oder: in einem Meer aus Funktionalität nach Selektivität fischen
2009 StandoutNobel
Ring Strain Energy in the Cyclooctyl System. The Effect of Strain Energy on [3 + 2] Cycloaddition Reactions with Azides
2009
Works of Daniel H. Ess being referenced
Direct Stereospecific Synthesis of Unprotected N-H and N-Me Aziridines from Olefins
2014 Science
Rapid Synthesis of Fused N‐Heterocycles by Transition‐Metal‐Free Electrophilic Amination of Arene CH Bonds
2014
Experimental realization of catalytic CH4 hydroxylation predicted for an iridium NNC pincer complex, demonstrating thermal, protic, and oxidant stability
2009
Bifurcations on Potential Energy Surfaces of Organic Reactions
2008
The Importance of Hydrogen Bonding to Stereoselectivity and Catalyst Turnover in Gold-Catalyzed Cyclization of Monoallylic Diols
2012
Density Functional Reactivity Theory Characterizes Charge Separation Propensity in Proton-Coupled Electron Transfer Reactions
2011
Lewis Acid Catalysis Alters the Shapes and Products of Bis-Pericyclic Diels−Alder Transition States
2007
Computational study of carbon–hydrogen bond deprotonation by alkali metal superbases
2013
Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory
2010
Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2-Amino-2′-hydroxy-1,1′-biaryls and Mechanism by DFT Calculations
2013
Electrophilic, Ambiphilic, and Nucleophilic C−H Bond Activation: Understanding the Electronic Continuum of C−H Bond Activation Through Transition-State and Reaction Pathway Interaction Energy Decompositions
2010
Benzene C−H Bond Activation in Carboxylic Acids Catalyzed by O-Donor Iridium(III) Complexes: An Experimental and Density Functional Study
2010
Synthesis and Relative Stability of 3,5-Diacyl-4,5-dihydro-1H-pyrazoles Prepared by Dipolar Cycloaddition of Enones and α-Diazoketones
2004
Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling
2019
Bifurkationen auf den Potentialenergiehyperflächen organischer Reaktionen
2008
Transition States of Strain-Promoted Metal-Free Click Chemistry: 1,3-Dipolar Cycloadditions of Phenyl Azide and Cyclooctynes
2008
Unrestricted Prescriptions for Open-Shell Singlet Diradicals: Using Economical Ab Initio and Density Functional Theory to Calculate Singlet–Triplet Gaps and Bond Dissociation Curves
2012
Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models
2008
Quantum Mechanical Transition-State Analysis Reveals the Precise Origin of Stereoselectivity in Chiral Quaternary Cinchonidinium Phase-Transfer Catalyzed Enolate Allylation
2012
Conceptual, Qualitative, and Quantitative Theories of 1,3‐Dipolar and Diels–Alder Cycloadditions Used in Synthesis
2006
Activation Energies and Reaction Energetics for 1,3‐Dipolar Cycloadditions of Hydrazoic Acid with CC and CN Multiple Bonds from High‐Accuracy and Density Functional Quantum Mechanical Calculations
2005
Heterolytic Benzene C−H Activation by a Cyclometalated Iridium(III) Dihydroxo Pyridyl Complex: Synthesis, Hydrogen−Deuterium Exchange, and Density Functional Study
2009
Transition State Energy Decomposition Study of Acetate-Assisted and Internal Electrophilic Substitution C−H Bond Activation by (acac-O,O)2Ir(X) Complexes (X = CH3COO, OH)
2008
Reactivity and Regioselectivity in 1,3-Dipolar Cycloadditions of Azides to Strained Alkynes and Alkenes: A Computational Study
2009
Activation Energies of Pericyclic Reactions: Performance of DFT, MP2, and CBS-QB3 Methods for the Prediction of Activation Barriers and Reaction Energetics of 1,3-Dipolar Cycloadditions, and Revised Activation Enthalpies for a Standard Set of Hydrocarbon Pericyclic Reactions
2005
Distortion, Interaction, and Conceptual DFT Perspectives of MO4−Alkene (M = Os, Re, Tc, Mn) Cycloadditions
2009
Activation-Strain Analysis Reveals Unexpected Origin of Fast Reactivity in Heteroaromatic Azadiene Inverse-Electron-Demand Diels–Alder Cycloadditions
2014
Organocatalytic Aryl–Aryl Bond Formation: An Atroposelective [3,3]-Rearrangement Approach to BINAM Derivatives
2013
Thinking Out of the Black Box: Accurate Barrier Heights of 1,3-Dipolar Cycloadditions of Ozone with Acetylene and Ethylene
2008
Rearrangement of Iridabenzvalenes to Iridabenzenes and/or η5-Cyclopentadienyliridium(I) Complexes: Experimental and Computational Analysis of the Influence of Silyl Ring Substituents and Phosphine Ligands
2007
Ligand Lone-Pair Influence on Hydrocarbon C−H Activation: A Computational Perspective
2010
Effect of Lewis Acid Catalysts on Diels−Alder and Hetero-Diels−Alder Cycloadditions Sharing a Common Transition State
2008
Enantioselective Synthesis of (E)-δ-Stannyl Homoallylic Alcohols via Aldehyde Allylboration Using α-Stannylallylboranes Generated by Allene Hydroboration Followed by a Highly Diastereoselective 1,3-Boratropic Shift
2010
Transition-State Charge Transfer Reveals Electrophilic, Ambiphilic, and Nucleophilic Carbon−Hydrogen Bond Activation
2009
Transition-State Metal Aryl Bond Stability Determines Regioselectivity in Palladium Acetate Mediated C–H Bond Activation of Heteroarenes
2012
Theory of Hydride-Proton Transfer (HPT) Carbonyl Reduction by [OsIII(tpy)(Cl)(NH═CHCH3)(NSAr)]
2010
Proton-Coupled Electron Transfer
2012 Standout
Distortion/Interaction Energy Control of 1,3-Dipolar Cycloaddition Reactivity
2007
Transition States for the Dimerization of 1,3-Cyclohexadiene: A DFT, CASPT2, and CBS-QB3 Quantum Mechanical Investigation
2008