Citation Impact
Citing Papers
Dynamic Pattern Formation in a Vesicle-Generating Microfluidic Device
2001 StandoutNobel
GB/SA water model for the Merck molecular force field (MMFF)
2000
Cyclooctyne-based reagents for uncatalyzed click chemistry: A computational survey
2009
Density functional theory for transition metals and transition metal chemistry
2009
Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
2006 Standout
Excitable CO Oxidation on Pt(110) under Nonuniform Coupling
2004 StandoutNobel
Reactivity of Biarylazacyclooctynones in Copper-Free Click Chemistry
2012 StandoutNobel
Copper(I)-Catalyzed Synthesis of Azoles. DFT Study Predicts Unprecedented Reactivity and Intermediates
2004 StandoutNobel
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Ionic versus covalent character in lanthanide complexes. A hybrid density functional study
1997
Pseudospectral localized Mo/ller–Plesset methods: Theory and calculation of conformational energies
1995
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
2004 StandoutNobel
Ab Initio Evaluation of the Potential Surface for General Base- Catalyzed Methanolysis of Formamide: A Reference Solution Reaction for Studies of Serine Proteases
2000 StandoutNobel
Near-native structure refinement using in vacuo energy minimization
2007 StandoutNobel
Calculations of Hydration Entropies of Hydrophobic, Polar, and Ionic Solutes in the Framework of the Langevin Dipoles Solvation Model
1999 StandoutNobel
Efficient Self-Consistent Implementation of Local Hybrid Functionals
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
Pseudospectral localized generalized Mo/ller–Plesset methods with a generalized valence bond reference wave function: Theory and calculation of conformational energies
1997
Transition between Fronts and Spiral Waves in a Bistable Surface Reaction
1995 StandoutNobel
Local Spin Density Functional Theory Study of Copper Ion-Exchanged ZSM-5
1996
Pseudospectral time-dependent density functional theory
2008
Stabilization of Coiled-Coil Peptide Domains by Introduction of Trifluoroleucine
2001
On the Mechanism of Hydrolysis of Phosphate Monoesters Dianions in Solutions and Proteins
2006 StandoutNobel
Mechanisms of Tetrazole Formation by Addition of Azide to Nitriles
2002 StandoutNobel
Measurement of the ground-state distributions in bistable mechanically interlocked molecules using slow scan rate cyclic voltammetry
2011 StandoutNobel
Density functional solvation model based on CM2 atomic charges
1998
Theoretical Studies on Alkyne Addition to Molybdenum Alkylidenes: The Preference of α- and β-Additions
2001
New Model for Calculation of Solvation Free Energies: Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects
1996
Pattern formation outside of equilibrium
1993 Standout
Isolation by crystallization of translational isomers of a bistable donor-acceptor [2]catenane
2010 StandoutNobel
Attosecond physics
2009 StandoutNobel
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Multielectron wave-packet propagation: General theory and application
2005
Computer Simulation of the Chemical Catalysis of DNA Polymerases: Discriminating between Alternative Nucleotide Insertion Mechanisms for T7 DNA Polymerase
2003 StandoutNobel
Difluorobenzocyclooctyne: Synthesis, Reactivity, and Stabilization by β-Cyclodextrin
2010 StandoutNobel
Toward reliable density functional methods without adjustable parameters: The PBE0 model
1999 Standout
Experimentally-Based Recommendations of Density Functionals for Predicting Properties in Mechanically Interlocked Molecules
2008 StandoutNobel
On the Reactivity of Phosphate Monoester Dianions in Aqueous Solution: Brønsted Linear Free-Energy Relationships Do Not Have an Unique Mechanistic Interpretation
1998 StandoutNobel
Why Is Tetrazole Formation by Addition of Azide to Organic Nitriles Catalyzed by Zinc(II) Salts?
2003 StandoutNobel
How Much Do Enzymes Really Gain by Restraining Their Reacting Fragments?
2002 StandoutNobel
Spontaneous skyrmion ground states in magnetic metals
2006 StandoutNature
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Energy correction to simulation of volume polarization in reaction field theory
2002
Remarkable patterns of surface water ordering around polarized buckminsterfullerene
2011 StandoutNobel
A Theoretical Study of Bonding in Lanthanide Trihalides by Density Functional Methods
1998
Nonequilibrium Structures in Condensed Systems
1996 StandoutScienceNobel
Charge penetration in dielectric models of solvation
1997
Accurate ab Initio Quantum Chemical Determination of the Relative Energetics of Peptide Conformations and Assessment of Empirical Force Fields
1997
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Geometry optimization of molecular structures in solution by the polarizable continuum model
1998 Standout
Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
2001 Standout
Structure of stochastic dynamics near fixed points
2005 StandoutNobel
Conformations and Barriers of Haloethyl Radicals (CH2XCH2, X = F, Cl, Br, I): Ab Initio Studies
1999 StandoutNobel
High Oxidation State Multiple Metal−Carbon Bonds
2001 StandoutNobel
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
A Push-Button Molecular Switch
2009 StandoutNobel
Bioinspired Metal–Organic Framework Catalysts for Selective Methane Oxidation to Methanol
2018 StandoutNobel
Mechanical Bonds and Topological Effects in Radical Dimer Stabilization
2014 StandoutNobel
Langevin Dipoles Model for ab Initio Calculations of Chemical Processes in Solution: Parametrization and Application to Hydration Free Energies of Neutral and Ionic Solutes and Conformational Analysis in Aqueous Solution
1997 StandoutNobel
Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes
2016 StandoutNobel
Stationary Turing patterns versus time-dependent structures in the chlorite-iodide-malonic acid reaction
1992
Origin of the Catalytic Power of Acetylcholinesterase: Computer Simulation Studies
1998 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Mechanically Stabilized Tetrathiafulvalene Radical Dimers
2011 StandoutNobel
Spatiotemporal patterns in a one-dimensional open reaction-diffusion system
1990
Conformational Flexibility of Phosphate, Phosphonate, and Phosphorothioate Methyl Esters in Aqueous Solution
1998 StandoutNobel
Solution-Phase Mechanistic Study and Solid-State Structure of a Tris(bipyridinium radical cation) Inclusion Complex
2011 StandoutNobel
Quantum Mechanical Predictions of the Stereoselectivities of Proline-Catalyzed Asymmetric Intermolecular Aldol Reactions
2003 StandoutNobel
Transition to chemical turbulence
1991
Ribosomal Synthesis of Unnatural Peptides
2005 StandoutNobel
The performance of semilocal and hybrid density functionals in 3d transition-metal chemistry
2006
Effects of Boundaries on Pattern Formation: Catalytic Oxidation of CO on Platinum
1994 StandoutScienceNobel
Works of Thomas Russo being referenced
Effective Core Potentials for DFT Calculations
1995
New pseudospectral algorithms for electronic structure calculations: Length scale separation and analytical two-electron integral corrections
1994
Bifurcation to spatially induced chaos in a reaction-diffusion system
1990
Instabilities of front patterns in reaction-diffusion systems
1991
A method for exponential propagation of large systems of stiff nonlinear differential equations
1989
LReO3 Epoxidizes, cis-Dihydroxylates, and Cleaves Alkenes as Well as Alkenylates Aldehydes: Toward an Understanding of Why
1998
Solvation Free Energy Calculations Using a Continuum Dielectric Model for the Solvent and Gradient-Corrected Density Functional Theory for the Solute
1996
Density functional calculations on first-row transition metals
1994