Citation Impact
Citing Papers
Sulfur [ 18 F]Fluoride Exchange Click Chemistry Enabled Ultrafast Late-Stage Radiosynthesis
2021 StandoutNobel
On the charge distribution in ethanes and disilanes and correlations with equilibrium bond lengths; an ab initio study
2000
Levels of hypoxia‐inducible factor‐1α independently predict prognosis in patients with lymph node negative breast carcinoma
2003 StandoutNobel
Why do cancers have high aerobic glycolysis?
2004 Standout
Recent developments in PET detector technology
2008
Multiwfn: A multifunctional wavefunction analyzer
2011 Standout
Application of a universal solvation model to nucleic acid bases: Comparison of semiempirical molecular orbital theory, ab initio Hartree–Fock theory, and density functional theory
1999
QM/MM Methods for Biomolecular Systems
2009 Standout
Parameterization of charge model 3 for AM1, PM3, BLYP, and B3LYP
2003
Skeletal PET with18F-Fluoride: Applying New Technology to an Old Tracer
2007
Imaging in the era of molecular oncology
2008 StandoutNature
Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model
2003 Standout
Computational characterization and modeling of buckyball tweezers: density functional study of concave–convex π⋯π interactions
2008
Endothelial Dysfunction in Obesity
2017
The Amber biomolecular simulation programs
2005 Standout
Highly reversible zinc metal anode for aqueous batteries
2018 Standout
The Rare Fluorinated Natural Products and Biotechnological Prospects for Fluorine Enzymology
2012
Obesity and Cardiovascular Disease: A Scientific Statement From the American Heart Association
2021 Standout
Regulation of cancer cell metabolism
2011 Standout
DNA Base Trimers: Empirical and Quantum Chemical Ab Initio Calculations versus Experiment in Vacuo
2006
Paracrine Induction of HIF by Glutamate in Breast Cancer: EglN1 Senses Cysteine
2016 StandoutNobel
The Cucurbit[n]uril Family
2005 Standout
Interactions with Aromatic Rings in Chemical and Biological Recognition
2003 Standout
Exploration of a potential difluoromethyl-nucleoside substrate with the fluorinase enzyme
2015
Tomographic imaging using the nonlinear response of magnetic particles
2005 StandoutNature
Using Positron Emission Tomography with [18F]FDG to Predict Tumor Behavior in Experimental Colorectal Cancer
2001
Recent advances in Sonogashira reactions
2011 Standout
New Class IV Charge Model for Extracting Accurate Partial Charges from Wave Functions
1998
Monofluorination of Organic Compounds: 10 Years of Innovation
2015 Standout
3d Transition Metals for C–H Activation
2018 Standout
Computational Requirements for Simulating the Structures and Proton Activity of Silicaceous Materials
2007
Biologic Correlates of 18Fluorodeoxyglucose Uptake in Human Breast Cancer Measured by Positron Emission Tomography
2002 StandoutNobel
Purely Organic Thermally Activated Delayed Fluorescence Materials for Organic Light‐Emitting Diodes
2017 Standout
Prediction of Response to Neoadjuvant Chemotherapy by Sequential F-18-Fluorodeoxyglucose Positron Emission Tomography in Patients With Advanced-Stage Ovarian Cancer
2005
Enzymatic Fluorination and Biotechnological Developments of the Fluorinase
2014
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
Positron Emission Tomography Scanning: Current and Future Applications
2002
The ORCA quantum chemistry program package
2020 Standout
Dioxapyrene-Based Organic Semiconductors for Organic Field Effect Transistors
2009
Density functional study of cucurbituril and its sulfur analogue
2004
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules
2019 StandoutNobel
Copper Active Sites in Biology
2014 Standout
The Reaction Mechanism of Paraoxon Hydrolysis by Phosphotriesterase from Combined QM/MM Simulations
2007
Redistributed Charge and Dipole Schemes for Combined Quantum Mechanical and Molecular Mechanical Calculations
2005
Direct Dynamics for Free Radical Kinetics in Solution: Solvent Effect on the Rate Constant for the Reaction of Methanol with Atomic Hydrogen
1999
When, in the context of drug design, can a fluorine atom successfully substitute a hydroxyl group?
2002
Density functional solvation model based on CM2 atomic charges
1998
Chemical Routes for the Transformation of Biomass into Chemicals
2007 Standout
Universal Quantum Mechanical Model for Solvation Free Energies Based on Gas-Phase Geometries
1998
Revised Response Criteria for Malignant Lymphoma
2007 Standout
Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
A Computational Study of the Hydrolysis of dGTP Analogues with Halomethylene-Modified Leaving Groups in Solution: Implications for the Mechanism of DNA Polymerases
2009 StandoutNobel
Selective Synthesis of α-Fluoro-β-keto- and α-Fluoro-β-aminophosphonates via Electrophilic Fluorination by Selectfluor
2011
Pi Bonding and Negative Hyperconjugation in Mono-, Di-, and Triaminoborane, -alane, -gallane, and -indane
2003
Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton
2006 Standout
New Universal Solvation Model and Comparison of the Accuracy of the SM5.42R, SM5.43R, C-PCM, D-PCM, and IEF-PCM Continuum Solvation Models for Aqueous and Organic Solvation Free Energies and for Vapor Pressures
2004
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Titania-Catalyzed Radiofluorination of Tosylated Precursors in Highly Aqueous Medium
2015
Ce3+-Doped garnet phosphors: composition modification, luminescence properties and applications
2016 Standout
Development of Halogenase Enzymes for Use in Synthesis
2017
Positron-Emission Tomography and Assessment of Cancer Therapy
2006
E-Type Delayed Fluorescence of a Phosphine-Supported Cu2(μ-NAr2)2 Diamond Core: Harvesting Singlet and Triplet Excitons in OLEDs
2010
Covalent O–H Bonds as Electron Traps in Proton-Rich Rutile TiO2 Nanoparticles
2014 StandoutNobel
Self-Consistent Polarization of the Boundary in the Redistributed Charge and Dipole Scheme for Combined Quantum-Mechanical and Molecular-Mechanical Calculations
2007
A Hafnium-Based Metal–Organic Framework as an Efficient and Multifunctional Catalyst for Facile CO2 Fixation and Regioselective and Enantioretentive Epoxide Activation
2014 StandoutNobel
Universal reaction field model based on ab initio Hartree–Fock theory
1998
Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences
2013
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute−Water Clusters
2005
1998
Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges
2007
Semiconducting π-Conjugated Systems in Field-Effect Transistors: A Material Odyssey of Organic Electronics
2011 Standout
Parametrized Model for Aqueous Free Energies of Solvation Using Geometry-Dependent Atomic Surface Tensions with Implicit Electrostatics
1997
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
Recent advances in organic thermally activated delayed fluorescence materials
2017 Standout
Evaluation of 18F‐2‐deoxy‐2‐fluoro‐d ‐glucose Positron Emission Tomography for Gastric Cancer
2004
Parametrized Models of Aqueous Free Energies of Solvation Based on Pairwise Descreening of Solute Atomic Charges from a Dielectric Medium
1996
Progress in Ab Initio QM/MM Free-Energy Simulations of Electrostatic Energies in Proteins: Accelerated QM/MM Studies of pKa, Redox Reactions and Solvation Free Energies
2008 StandoutNobel
Biologic Correlates of 18Fluorodeoxyglucose Uptake in Human Breast Cancer Measured by Positron Emission Tomography
2002
Catalytic Mechanism and Performance of Computationally Designed Enzymes for Kemp Elimination
2008 StandoutNobel
Molecular orbital calculations on the P?S bond cleavage step in the hydroperoxidolysis of nerve agent VX
1998
Bergman, Aza-Bergman, and Protonated Aza-Bergman Cyclizations and Intermediate 2,5-Arynes: Chemistry and Challenges to Computation
1998
Chiral Phosphoric Acid Catalyzed Conversion of Epoxides into Thiiranes: Mechanism, Stereochemical Model, and New Catalyst Design
2021 StandoutNobel
Aromatic Trifluoromethylation with Metal Complexes
2011 Standout
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Hirshfeld surface analysis
2008 Standout
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
2005 Standout
Evaluation of Models of Electrostatic Interactions in Proteins
2003 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Single-Ion Solvation Free Energies and the Normal Hydrogen Electrode Potential in Methanol, Acetonitrile, and Dimethyl Sulfoxide
2006
A Universal Solvation Model Based on Class IV Charges and the Intermediate Neglect of Differential Overlap for the Spectroscopy Molecular Orbital Method
1999
A Prototype for Graphene Material Simulation: Structures and Interaction Potentials of Coronene Dimers
2008
Density Functional Study of the In-Line Mechanism of Methanolysis of Cyclic Phosphate and Thiophosphate Esters in Solution: Insight into Thio Effects in RNA Transesterification
2005
Isotactic Polymers with Alternating Lactic Acid and Oxetane Subunits from the Endoentropic Polymerization of a 14-Membered Ring
2004
Charge Model 4 and Intramolecular Charge Polarization
2007
CF2H, a Hydrogen Bond Donor
2017 Standout
Representative Benchmark Suites for Barrier Heights of Diverse Reaction Types and Assessment of Electronic Structure Methods for Thermochemical Kinetics
2006
Theoretical Models on the Cu2O2 Torture Track: Mechanistic Implications for Oxytyrosinase and Small-Molecule Analogues
2006
Linear free-energy correlation analysis of the electronic effects of the substituents in the Sonogashira coupling reaction
2008
Analytical energy gradients of a self-consistent reaction-field solvation model based on CM2 atomic charges
1999
Generalized Hybrid Orbital (GHO) Method for Combining Ab Initio Hartree−Fock Wave Functions with Molecular Mechanics
2004
Thermally Activated Delayed Fluorescence Materials Towards the Breakthrough of Organoelectronics
2014 Standout
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
FDG-PET and Beyond: Molecular Breast Cancer Imaging
2005
The Magnitude of the CH/π Interaction between Benzene and Some Model Hydrocarbons
2000
Works of A. Welch being referenced
An enzymatic route to 5-deoxy-5-[18F]fluoro-d-ribose, a [18F]-fluorinated sugar for PET imaging
2009
Adipocyte-Specific Protein Tyrosine Phosphatase 1B Deletion Increases Lipogenesis, Adipocyte Cell Size and Is a Minor Regulator of Glucose Homeostasis
2012
A four-layer attenuation compensated PET detector based on APD arrays without discrete crystal elements
2005
Femoral Head Viability After Birmingham Resurfacing Hip Arthroplasty: Assessment with Use of [18F] Fluoride Positron Emission Tomography
2006
Positron Emission Tomography Using [18F]-Fluorodeoxy-d -Glucose to Predict the Pathologic Response of Breast Cancer to Primary Chemotherapy
2000
Detection of response to chemotherapy using positron emission tomography in patients with oesophageal and gastric cancer
1998
The MIDI! basis set for quantum mechanical calculations of molecular geometries and partial charges
1996
Evaluation of 18F-FDG positron emission tomography in gastric and oesophageal carcinoma.
1999