Citation Impact
Citing Papers
A monomeric G protein-coupled receptor isolated in a high-density lipoprotein particle efficiently activates its G protein
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Synthesis of a set of ethyl 1-carbamoyl-3-oxoquinoxaline-2-carboxylates and of their constrained analogue imidazo[1,5-a]quinoxaline-1,3,4-triones as glycine/NMDA receptor antagonists
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Tyrosyl radicals in Photosystem II
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Amino acid residues involved in the coordination and assembly of the manganese cluster of photosystem II. Proton-coupled electron transport of the redox-active tyrosines and its relationship to water oxidation
2001
Competitive AMPA receptor antagonists
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Proton and hydrogen currents in photosynthetic water oxidation
2000
A hydrogen-atom abstraction model for the function of YZ in photosynthetic oxygen evolution
1995
Tyrosine Radical Formation in the Reaction of Wild Type and Mutant Cytochrome P450cam with Peroxy Acids
2004
A Catalytic Asymmetric 6 π Electrocyclization: Enantioselective Synthesis of 2‐Pyrazolines
2009 StandoutNobel
Towards complete cofactor arrangement in the 3.0 Å resolution structure of photosystem II
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Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å
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Structural Bases of Desensitization in AMPA Receptor-Auxiliary Subunit Complexes
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Activity-dependent regulation of dendritic synthesis and trafficking of AMPA receptors
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Separating water isotopologues using diffusion-regulatory porous materials
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STRUCTURE , DYNAMICS , AND ENERGETICS OF THE PRIMARY PHOTOCHEMISTRY OF PHOTOSYSTEM II OF OXYGENIC PHOTOSYNTHESIS
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Monofluorination of Organic Compounds: 10 Years of Innovation
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Ab Initio Evaluation of the Potential Surface for General Base- Catalyzed Methanolysis of Formamide: A Reference Solution Reaction for Studies of Serine Proteases
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2016 StandoutScienceNobel
Multiple effects of spermine on N‐methyl‐D‐aspartic acid receptor responses of rat cultured hippocampal neurones.
1993
The Local Hard−Soft Acid−Base Principle: A Critical Study
1997
A comprehensive picture of the one-electron oxidation chemistry of enols, enolates and α-carbonyl radicals: oxidation potentials and characterization of radical intermediates
2009
On the physicochemical and catalytic properties of H5PV2Mo10O40 supported on silica
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The ONIOM Method and Its Applications
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Copper Active Sites in Biology
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Catalysis by Heteropoly Acids and Multicomponent Polyoxometalates in Liquid-Phase Reactions
1998 Standout
Hydrogen-Bonding Effects on Free-Radical Properties
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An Unexpected α‐Oxidation of Cyclic Ketones with 1,4‐Benzoquinone by Enol Catalysis
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Effects of Hydrogen Bonding to Amines on the Phenol/Phenoxyl Radical Oxidation
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Catalytic iron-carbene intermediate revealed in a cytochrome c carbene transferase
2018 StandoutNobel
Heterogeneous Catalysis
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PCET in the oxidation of ascorbate. Dramatic change of the kinetic isotope effect on the change in solvent polarity
2007
Practical Methodologies for the Synthesis of Indoles
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Phosphine Organocatalysis
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Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
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Advances in the Development of Novel Cobalt Fischer−Tropsch Catalysts for Synthesis of Long-Chain Hydrocarbons and Clean Fuels
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Conceptual Density Functional Theory
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Propylene Hydrogenation and Propane Dehydrogenation by a Single-Site Zn2+ on Silica Catalyst
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Resolving intermediates in biological proton-coupled electron transfer: A tyrosyl radical prior to proton movement
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Interaction of Co(CO)x with surface sites of SiO2: theoretical study
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Catalytic Transformation of Lignin for the Production of Chemicals and Fuels
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One step thermal conversion of lignin to the gasoline range liquid products by using zeolites as additives
2012
Primary photochemistry and energetics leading to the oxidation of the (Mn)4Ca cluster and to the evolution of molecular oxygen in Photosystem II
2007
Recent Advances in Polyoxometalate-Catalyzed Reactions
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Phosphine-catalyzed domino reactions of alkynyl ketones with sulfonylhydrazones: construction of diverse pyrazoloquinazoline derivatives
2016
A combined laser flash photolysis, density functional theory and atoms in molecules study of the photochemical hydrogen abstraction by pyrene-4,5-dione
2008
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
Electron Magnetic Resonance of the Tyrosyl Radical in Ribonucleotide Reductase from Escherichia coli
1996
Density Functional Calculations of Electronic g-Tensors for Semiquinone Radical Anions. The Role of Hydrogen Bonding and Substituent Effects
2002
Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides
2014 Standout
Crystal structure of cyanobacterial photosystem II at 3.2 Å resolution: a closer look at the Mn-cluster
2004
Three-dimensional structure of cyanobacterial photosystem I at 2.5 Å resolution
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Proximity of the manganese cluster of photosystem II to the redox-active tyrosine YZ.
1995
Behavior of Benzene in Na-X and Na-Y Zeolites: Comparative Study by 2H NMR and Molecular Mechanics
1996
A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron Transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces As Exemplified by the Reaction between Phenol and Radicals
2008
Immobilization of Sodium Ions on the Pore Surface of a Porous Coordination Polymer
2006 StandoutNobel
Brønsted Acidity in Metal–Organic Frameworks
2015 StandoutNobel
Reaction cascade: Ortho-C–H activation and C–C coupling of benzophenone leading to tetranuclear organoiron and mononuclear organocobalt complexes
2014
The Combinatorial Synthesis of Bicyclic Privileged Structures or Privileged Substructures
2003 Standout
Electron transfer and arrangement of the redox cofactors in photosystem I
1997
Dual Catalysis Strategies in Photochemical Synthesis
2016 Standout
Superoxide Ion: Generation and Chemical Implications
2016 Standout
Critical Study of Local Reactivity Descriptors for Weak Interactions: Qualitative and Quantitative Analysis of Adsorption of Molecules in the Zeolite Lattice
2000
The Electronic Structure of the Flavin Cofactor in DNA Photolyase
2001
Interplay of Electronic, Environmental, and Vibrational Effects in Determining the Hyperfine Coupling Constants of Organic Free Radicals
2004
Proton-Coupled Electron Transfer versus Hydrogen Atom Transfer in Benzyl/Toluene, Methoxyl/Methanol, and Phenoxyl/Phenol Self-Exchange Reactions
2002
Fundamentals and Catalytic Applications of CeO2-Based Materials
2016 Standout
4,5-Dihydro-1H-pyrazole Derivatives with Inhibitory nNOS Activity in Rat Brain: Synthesis and Structure−Activity Relationships
2004
Protein Radicals in Enzyme Catalysis
1998 Standout
Reactivity Index Scale for Interaction of Heteroatomic Molecules with Zeolite Framework
1999
Quantum Mechanical Continuum Solvation Models
2005 Standout
Proton-Coupled Electron Transfer
2007
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
NMR Investigations of Clostridium pasteurianum Rubredoxin. Origin of Hyperfine 1H, 2H, 13C, and 15N NMR Chemical Shifts in Iron−Sulfur Proteins As Determined by Comparison of Experimental Data with Hybrid Density Functional Calculations
1998
Solar Synthesis: Prospects in Visible Light Photocatalysis
2014 StandoutScience
NMR scalar couplings across Watson–Crick base pair hydrogen bonds in DNA observed by transverse relaxation-optimized spectroscopy
1998 StandoutNobel
Catalytic steam reforming of methane over Ce0.9Gd0.1O2−
2003
Photocatalyzed Benzylic Fluorination: Shedding “Light” on the Involvement of Electron Transfer
2014
Evidence that the C-Terminus of the D1 Polypeptide of Photosystem II is Ligated to the Manganese Ion that Undergoes Oxidation During the S1to S2Transition: An Isotope-Edited FTIR Study
2004
Determination of the structural parameters for the van der Waals complexes between N2 and ClF molecules
1992 StandoutNobel
The Acidity of Zeolites: Concepts, Measurements and Relation to Catalysis: A Review on Experimental and Theoretical Methods for the Study of Zeolite Acidity
2013
Oxidation of phenols employing polyoxometalates as biomimetic models of the activity of phenoloxidase enzymes
2007
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
Determination of the Electron Spin Density on the Phenolic Oxygen of the Tyrosyl Radical of Photosystem II
1997
Structure and Function of DNA Photolyase and Cryptochrome Blue-Light Photoreceptors
2003 StandoutNobel
Structure and Chemistry of Cytochrome P450
2005 Standout
In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co 2+
2008 StandoutScience
Works of Patrick J. O’Malley being referenced
Mechanistic aspects of hydrogen abstraction for phenolic antioxidants. Electronic structure and topological electron density analysis
2005
5,7-Dichlorokynurenic acid, a potent and selective competitive antagonist of the glycine site on NMDA receptors
1990
Synthesis and excitatory amino acid pharmacology of a series of heterocyclic-fused quinoxalinones and quinazolinones
1992
3-Phenyl-4-hydroxyquinolin-2(1H)-ones: potent and selective antagonists at the strychnine-insensitive glycine site on the N-methyl-D-aspartate receptor complex
1992
ENDOR and Special Triple Resonance Studies of Chlorophyll Cation Radicals in Photosystem 2
1994
The dark stable tyrosine radical of photosystem 2 studied in three species using ENDOR and EPR spectroscopies
1994
Electronic Structure Studies of Quinones and Semiquinones: Accurate Calculation of Spin Densities and Electron Paramagnetic Resonance Parameters
2001
Density functional calculated 13C and 17O hyperfine couplings for the ubisemiquinone anion radical in an alcohol solvent model and in a model of the Qa binding site of Rb sphaeroides
1998
B3LYP, Hybrid Density Functional Studies of the Durosemiquinone Radical: The Effect of Symmetrical and Asymmetrical Hydrogen Bonding on Spin Densities and Hyperfine Couplings
1998
Hybrid Density Functional Studies of Phenoxyl Free Radicals Modeling α-Tocopheroxyl
2002
An ab initio molecular orbital study of silanol–hydrogen complexes: a model for the interaction of hydrogen with silicate hydroxyl groups
1991
Density functional calculations modelling tyrosine oxidation in oxygenic photosynthetic electron transfer
2002
Ab initio molecular orbital and molecular graphics studies of benzene adsorption in Na Y zeolite
1995
Density functional studies of free radicals: accurate geometry and hyperfine coupling prediction for semiquinone anions
1996
An ONIOM Study of the Spin Density Distribution of the QA Site Plastosemiquinone in the Photosystem II Reaction Center
2011
Density Functional Studies of Weak Base Interactions with Hydroxyl Groups: Models for Adsorption Complexes of Weak Bases in Microporous Materials
1998
A density functional study of the effect of orientation of hydrogen bond donation on the hyperfine couplings of benzosemiquinones: relevance to semiquinone–protein hydrogen bonding interactions in vivo
1998
Hemilabile orthometallated acetals: Synthesis, spectroscopic characterization and crystal and molecular structures of [RuCl{η2-C,O-C6H4-2-CH(O2C2H4)}(CO)(PPh3)2] and [HgBr{η2-C,O-C6H4-2-CH(O2C2H4)}]
2007
Density Functional Calculations Modelling the Spin Density Distribution, Hyperfine Couplings, and Hydrogen Bonding Environment of the Ascorbate (Vitamin C) Free Radical
2001
A Density Functional Study of Acidic Hydroxyl Groups in Zeolites and Their Interaction with Carbon Monoxide
1996
The calculation of 1H, 13C, 14N isotropic and anisotropic hyperfine interactions for the 3-methyl indole cation and neutral radicals using hybrid density functional methods: models for in vivo tryptophan-based radicals
1996
An ONIOM study of the QA site semiquinone in the Rhodobacter sphaeroides photosynthetic reaction centre
2008
A Theoretical Description for the Monomolecular Cracking of C-C Bonds over Acidic Zeolites
1995
Hybrid Density Functional Studies of the Oxidation of Phenol−Imidazole Hydrogen-Bonded Complexes: A Model for Tyrosine Oxidation in Oxygenic Photosynthesis
1998
The Electronic Structure of the Bacteriopheophytin a Anion Radical, in Vivo
1999
Density functional calculated spin densities and hyperfine couplings for hydrogen bonded 1,4-naphthosemiquinone and phyllosemiquinone anion radicals: a model for the A1 free radical formed in Photosystem I
1999
The mechanism of alkane activation over zeolite Brønsted acid sites. A density-functional study
1995
Hybrid Density Functional Study of the p-Benzosemiquinone Anion Radical: The Influence of Hydrogen Bonding on Geometry and Hyperfine Couplings
1997
Gas phase and water solution conformational analysis of the herbicide diuron (DCMU): an ab initio study
1998
Synthesis and properties of SAPO-5 molecular sieves. Silicon incorporation into the framework
1992
1H, 13C, and 17O Isotropic and Anisotropic Hyperfine Couplings for the Plastosemiquinone Anion Radical
1998
Propan-2-ol adsorption and decomposition on zinc oxide promoted by alkali metal
1987
Effect of Hydrogen Bonding on the Spin Density Distribution and Hyperfine Couplings of the p-Benzosemiquinone Anion Radical in Alcohol Solvents: A Hybrid Density Functional Study
1997
1H, 13C and 17O isotropic and anisotropic hyperfine coupling prediction for the tyrosyl radical using hybrid density functional methods
1997