Citation Impact
Citing Papers
Metal nanoparticles: understanding the mechanisms behind antibacterial activity
2017 Standout
The contribution of computational studies to organometallic catalysis: descriptors, mechanisms and models
2009
A comparison of the thermodynamics of O–O bond cleavage for dicopper complexes in enzymes and synthetic systems
2003
The performance of hybrid DFT for mechanisms involving transition metal complexes in enzymes
2006
Density functional theory for transition metals and transition metal chemistry
2009
The role of reticular chemistry in the design of CO2 reduction catalysts
2018 StandoutNobel
Oxygen binding and activation by the complexes of PY2- and TPA-appended diphenylglycoluril receptors with copper and other metals
2005 StandoutNobel
Biomimetic modeling of copper oxidase reactivity
2000
Validation of density functional modeling protocols on experimental bis(μ-oxo)/μ-η2:η2-peroxo dicopper equilibria
2007
Enzymatic functionalization of carbon–hydrogen bonds
2010 StandoutNobel
Oxidation of ethane to ethanol by N2O in a metal–organic framework with coordinatively unsaturated iron(II) sites
2014
Why nature really chose phosphate
2013 StandoutNobel
Bis(μ-oxo)dimetal “Diamond” Cores in Copper and Iron Complexes Relevant to Biocatalysis
2002
Frustrated Lewis Pair Chemistry: Development and Perspectives
2015 Standout
Exploring pathways and barriers for coupled ET/PT in cytochrome c oxidase: A general framework for examining energetics and mechanistic alternatives
2007 StandoutNobel
Heterocyclic Carbenes: Synthesis and Coordination Chemistry
2008 Standout
Catalytic C–H bond arylation of aryl imines and oxazolines in water with ruthenium(II)-acetate catalyst
2012
Divalent silicon, germanium, and tin compounds with element--heteroatom bonds
2004
Hydroisomerization of n-Hexane Using Acidified Metal–Organic Framework and Platinum Nanoparticles
2017 StandoutNobel
Basic conformers in ?-peptides
1999
Transition-Metal Systems in Biochemistry Studied by High-Accuracy Quantum Chemical Methods
2000
Quantum‐mechanical condensed matter simulations with CRYSTAL
2018 Standout
Cu and Cu-Based Nanoparticles: Synthesis and Applications in Catalysis
2016 Standout
Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
1999 Standout
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
Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation
2011 Standout
Analyzing Reaction Rates with the Distortion/Interaction‐Activation Strain Model
2017 Standout
Beyond fossil fuel–driven nitrogen transformations
2018 StandoutScienceNobel
Titanocene-Mediated Formation of Phosphorus−Phosphorus Bonds
2008
Structure and Spectroscopy of Copper−Dioxygen Complexes
2004 Standout
A Hafnium-Based Metal–Organic Framework as a Nature-Inspired Tandem Reaction Catalyst
2015 StandoutNobel
Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes
2013 Standout
Copper Active Sites in Biology
2014 Standout
Mechanisms of metalloenzymes studied by quantum chemical methods
2003
Non-Heme Fe(IV)–Oxo Intermediates
2007 Standout
Comparison of the Reactivity of Bis(μ-oxo)CuIICuIII and CuIIICuIII Species to Methane
2008
Pore Chemistry of Metal–Organic Frameworks
2020 StandoutNobel
Recent Advances in Transition Metal Catalyzed Oxidation of Organic Substrates with Molecular Oxygen
2005 Standout
Singly Bonded Catenated Germanes: Eighty Years of Progress
2008
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
2006 Standout
Challenges for Density Functional Theory
2011 Standout
Covalent organic frameworks comprising cobalt porphyrins for catalytic CO 2 reduction in water
2015 StandoutScienceNobel
Copper Homeostasis and Neurodegenerative Disorders (Alzheimer's, Prion, and Parkinson's Diseases and Amyotrophic Lateral Sclerosis)
2006 Standout
Theory of 1,3-Dipolar Cycloadditions: Distortion/Interaction and Frontier Molecular Orbital Models
2008
Activation of a SiSi Bond by η-Coordination to a Transition Metal
2005
Synthesis and Reactivity of Dibenzoselenacycloheptynes
2013 StandoutNobel
β-Peptides: From Structure to Function
2001 Standout
Reactivity of Dioxygen−Copper Systems
2004
Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
2004 Standout
Resonance Raman Spectroscopy as a Probe of the Bis(μ-oxo)dicopper Core
2000
Ultrathin metal–organic framework nanosheets for electrocatalytic oxygen evolution
2016 Standout
A Field Guide to Foldamers
2001 Standout
Bis(μ-oxo)dicopper in Cu-ZSM-5 and Its Role in the Decomposition of NO: A Combined in Situ XAFS, UV−Vis−Near-IR, and Kinetic Study
2003
Aerobic Copper-Catalyzed Organic Reactions
2013 Standout
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
The 1,4-Diphosphabuta-1,3-diene Ligand for Coordination of Divalent Group 13 and 14 Elements: A Density Functional Study
2004
Efficient catalytic oxidation of primary and secondary alcohols using a non-heme dinuclear iron complex
2001 StandoutNobel
Ruthenium(II)-Catalyzed C–H Bond Activation and Functionalization
2012 Standout
Spectroscopic and Electronic Structural Studies of the Cu(III)2Bis-μ-oxo Core and Its Relation to the Side-On Peroxo-Bridged Dimer
1999
How to Conceptualize Catalytic Cycles? The Energetic Span Model
2010 Standout
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions
2006 Standout
DENSITY FUNCTIONAL THEORY OF BIOLOGICALLY RELEVANT METAL CENTERS
1999
The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems
2008
Bioinspired Metal–Organic Framework Catalysts for Selective Methane Oxidation to Methanol
2018 StandoutNobel
Ligand Macrocycle Structural Effects on Copper−Dioxygen Reactivity
2000
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Density Functionals with Broad Applicability in Chemistry
2008 Standout
From Molecules to Frameworks to Superframework Crystals
2021 StandoutNobel
Complexity with simplicity: a steric continuum of chelating diamines with copper(i ) and dioxygen
2003
Advances in the Synthesis of Organoborane Polymers for Optical, Electronic, and Sensory Applications
2010 Standout
On the accuracy of density functional theory in transition metal chemistry
2006
Spiers Memorial Lecture: : Progress and prospects of reticular chemistry
2017 StandoutNobel
N-Heterocyclic Carbene Analogues with Low-Valent Group 13 and Group 14 Elements: Syntheses, Structures, and Reactivities of a New Generation of Multitalented Ligands
2010 Standout
Highly rigid and stable porous Cu(i) metal–organic framework with reversible single-crystal-to-single-crystal structural transformation
2012 StandoutNobel
Theoretical Models on the Cu2O2 Torture Track: Mechanistic Implications for Oxytyrosinase and Small-Molecule Analogues
2006
Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features
2006
Dioxygen Binding to Deoxyhemocyanin: Electronic Structure and Mechanism of the Spin-Forbidden Two-Electron Reduction of O2
2001
Proton-Coupled Electron Transfer
2012 Standout
Structure and Chemistry of Cytochrome P450
2005 Standout
Works of Michaela Flock being referenced
Evaluating the Activation Barriers for Transition Metal N2O Reactions
2001
The Solution Structure of (Me3Si)3CSiBr—An Ab Initio/NMR Study
2003
Formation of Formal Disilene Fluoride Adducts
2008
On the triplet–singlet energy gap of acetylene
2000
Synthesis of a Hafnocene Disilene Complex
2004
Are RR′C–PR′′(BH3)2‘electron poor’ phosphorus ylides?— an ab initio–NMR study
2000
Titanocene-Catalyzed Hydrosilylation of Imines: Experimental and Computational Investigations of the Catalytically Active Species
2009
Theoretical Study of the Interconversion of O2-Binding Dicopper Complexes
1998
Structure−Function−Performance Relationship of Bis(cyclopentadienyl)-Based Group 4 Metallocenes: A DFT Study
2008
Hypersilylphosphanylidene: A Facile Low‐Temperature Generation and Formation of Bis(hypersilyl)diphosphene and the Bis(hypersilyl)triphosphaallyl Anion
2006
Intramolecular interactions in β-alanine, 3-aminopropanal and 3-aminopropanol
1992
How the Fourteen Most Stable CH4P2 Isomers InterconvertAn ab Initio/NMR Study
2001
Ge6Me12 and Ge6H12 Cyclohexagermanes: Conformer Equilibria Studied by Raman Spectroscopy and Quantum Chemical Calculations
2007