Citation Impact
Citing Papers
Anatase TiO2 single crystals with a large percentage of reactive facets
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Strongly Constrained and Appropriately Normed Semilocal Density Functional
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Pushing the frontiers of density functionals by solving the fractional electron problem
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Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
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3d Transition Metals for C–H Activation
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Fluorine in Pharmaceutical Industry: Fluorine-Containing Drugs Introduced to the Market in the Last Decade (2001–2011)
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Extended benchmark studies of coupled cluster theory through triple excitations
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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
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Clusters: Structure, Energetics, and Dynamics of Intermediate States of Matter
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Organic Photoredox Catalysis
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Accurate Thermochemical Properties for Energetic Materials Applications. II. Heats of Formation of Imidazolium-, 1,2,4-Triazolium-, and Tetrazolium-Based Energetic Salts from Isodesmic and Lattice Energy Calculations
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The Nature and Absolute Hydration Free Energy of the Solvated Electron in Water
2003
Gaussian-3 (G3) theory for molecules containing first and second-row atoms
1998 StandoutNobel
Azole-Based Energetic Salts
2011 Standout
Phonon- Versus Electron-Mediated Desorption and Oxidation of CO on Ru(0001)
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Assessment of complete basis set methods for calculation of enthalpies of formation
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Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading
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An Unexpected α‐Oxidation of Cyclic Ketones with 1,4‐Benzoquinone by Enol Catalysis
2018 StandoutNobel
σ- and π-Bond Strengths in Main Group 3−5 Compounds
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Electron Affinities of Aln Clusters and Multiple-Fold Aromaticity of the Square Al42- Structure
2002
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
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Challenges for Density Functional Theory
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Binding Energy of Al(C6H6)+ from Analysis of Radiative Association Kinetics
1996
Noncovalent Interactions: A Challenge for Experiment and Theory
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Frustrated Lewis Pairs: Metal‐free Hydrogen Activation and More
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The Cation−π Interaction
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Catalytic Transformation of Lignin for the Production of Chemicals and Fuels
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HEAT: High accuracy extrapolated ab initio thermochemistry
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Understanding TiO2Photocatalysis: Mechanisms and Materials
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Semiempirical hybrid density functional with perturbative second-order correlation
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Hydrogenases
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Recent Advances in Polyoxometalate-Catalyzed Reactions
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Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements
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Reactive species in non-equilibrium atmospheric-pressure plasmas: Generation, transport, and biological effects
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Surface Science Studies of the Photoactivation of TiO2New Photochemical Processes
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The correlation-consistent composite approach: Application to the G3/99 test set
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Photocatalytic CO2 Reduction by Carbon-Coated Indium-Oxide Nanobelts
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Accurate Thermochemical Properties for Energetic Materials Applications. I. Heats of Formation of Nitrogen-Containing Heterocycles and Energetic Precursor Molecules from Electronic Structure Theory
2006
A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
1999 Standout
A Density Functional Theory Study on Pyrolysis Mechanism of Lignin in Hydrogen Plasma
2013
Molecular Aspects of Halide Ion Hydration: The Cluster Approach
2003
Reliable Predictions of the Thermochemistry of Boron−Nitrogen Hydrogen Storage Compounds: BxNxHy, x = 2, 3
2007
Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation
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A set of standard enthalpies of formation for benchmarking, calibration, and parametrization of electronic structure methods
2000
Superoxide Ion: Generation and Chemical Implications
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Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities
1998 StandoutNobel
Thermodynamic Properties of the C5, C6, and C8 n-Alkanes from ab Initio Electronic Structure Theory
2005
Assessment of Gaussian-3 and density functional theories for a larger experimental test set
2000 Nobel
Influence of the exchange screening parameter on the performance of screened hybrid functionals
2006 Standout
Heats of Formation of Diphosphene, Phosphinophosphinidene, Diphosphine, and Their Methyl Derivatives, and Mechanism of the Borane-Assisted Hydrogen Release
2007
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Systematic optimization of long-range corrected hybrid density functionals
2008 Standout
Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry
1998
Density Functionals with Broad Applicability in Chemistry
2008 Standout
Robust and Affordable Multicoefficient Methods for Thermochemistry and Thermochemical Kinetics: The MCCM/3 Suite and SAC/3
2003
Evidence for a strong intermolecular bond in the phenol⋅N2 cation
1998
Charge-Dependent Cavity Radii for an Accurate Dielectric Continuum Model of Solvation with Emphasis on Ions: Aqueous Solutes with Oxo, Hydroxo, Amino, Methyl, Chloro, Bromo, and Fluoro Functionalities
2008
Photoelectron spectroscopy of the solvated anion clusters O−(Ar)n=1–26,34: Energetics and structure
1995
Femtosecond dynamics of dative bonding: Concepts of reversible and dissociative electron transfer reactions
1999 StandoutNobel
Critical Re-evaluation of the O−H Bond Dissociation Enthalpy in Phenol
2005
Performance of coupled cluster theory in thermochemical calculations of small halogenated compounds
2003
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Visible‐Light Photocatalysis: Does It Make a Difference in Organic Synthesis?
2018 Standout
Direct visualization of defect-mediated dissociation of water on TiO2(110)
2006
Ab Initio Prediction of the Gas- and Solution-Phase Acidities of Strong Brønsted Acids: The Calculation of pKa Values Less Than −10
2006
Colloidal PbS Nanocrystals with Size‐Tunable Near‐Infrared Emission: Observation of Post‐Synthesis Self‐Narrowing of the Particle Size Distribution
2003 Standout
Effectiveness of Diffuse Basis Functions for Calculating Relative Energies by Density Functional Theory
2003
Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications
2010
Thermodynamic Properties of Molecular Borane Amines and the [BH4-][NH4+] Salt for Chemical Hydrogen Storage Systems from ab Initio Electronic Structure Theory
2005
A direct measurement of the dissociation energy of water
2006
Hydration of the Fluoride Anion: Structures and Absolute Hydration Free Energy from First-Principles Electronic Structure Calculations
2004
Direct Detection of Products from the Pyrolysis of 2-Phenethyl Phenyl Ether
2011
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
2009 Standout
Proton-Coupled Electron Transfer
2012 Standout
The bond length of CoKr+
1995
Hybrid functionals based on a screened Coulomb potential
2003 Standout
What Are the Best Affordable Multi-Coefficient Strategies for Calculating Transition State Geometries and Barrier Heights?
2002
Factors Controlling the Addition of Carbon‐Centered Radicals to Alkenes—An Experimental and Theoretical Perspective
2001
Works of Robert L. Asher being referenced
Spectroscopically determined binding energies of CrAr+ and Cr(N2)+
1991
Energy dependent photochemistry in the predissociation of V(OCO)+
1991
The bond length of Ni+2
1994
On the heats of formation of trifluoromethyl radical CF3 and its cation CF3+
1997
The ground state of CoAr+
1994
Evidence for a Lower Enthalpy of Formation of Hydroxyl Radical and a Lower Gas-Phase Bond Dissociation Energy of Water
2000
Ionization Energy of Methylene Revisited: Improved Values for the Enthalpy of Formation of CH2 and the Bond Dissociation Energy of CH3 via Simultaneous Solution of the Local Thermochemical Network
1999
Vibrational structure of an electrostatically bound ion–water complex
1990
On the heat of formation of carbonyl fluoride, CF2O
1996
Equilibrium properties of transition-metal ion–argon clusters via simulated annealing
1992
The Co+·CO2 electrostatic complex: Geometry and potential
1994
On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl
2002