Substituent effects on OH bond strength and hyperfine properties of phenol, as model for modified tyrosyl radicals in proteins

Density-functional thermochemistry. III. The role of exact exchange

1993 • 95,597 citations

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1988 • 93,162 citations

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1986 • 17,918 citations

A new mixing of Hartree–Fock and local density-functional theories

1993 • 15,285 citations

Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation

1986 • 4,006 citations

Protein Radicals in Enzyme Catalysis

1998 • 1,348 citations

Redox-Coupled Crystal Structural Changes in Bovine Heart Cytochrome c Oxidase

1998 • 1,022 citations

Mechanisms Whereby Mononuclear Copper Proteins Functionalize Organic Substrates

1996 • 825 citations

Novel thioether bond revealed by a 1.7 Å crystal structure of galactose oxidase

1991 • 734 citations

Structure at 2.7 Å resolution of the Paracoccus denitrificans two-subunit cytochrome c oxidase complexed with an antibody F _V fragment

1997 • 678 citations

Tyrosine radicals are involved in the photosynthetic oxygen-evolving system.

1987 • 377 citations

Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N,N-Dimethylformamide and N,N-Dimethylacetamide

1995 • 309 citations

Dioxygen activation and bond cleavage by mixed-valence cytochrome c oxidase

1998 • 292 citations

Theoretical Calculation of Substituent Effects on the O−H Bond Strength of Phenolic Antioxidants Related to Vitamin E

1997 • 249 citations

Structure at 2.7 A resolution of the Paracococcus dendrificans two-subunit cytochrome c oxidase coupled with an antibody Fv fragment

1997 • 242 citations

Solvent Effects on 1,2-Dihaloethane Gauche/Trans Ratios

1995 • 215 citations

Energetics of the O–H Bond in Phenol and Substituted Phenols: A Critical Evaluation of Literature Data

1998 • 197 citations

Modeling Electron Transfer in Biochemistry: A Quantum Chemical Study of Charge Separation in Rhodobacter sphaeroides and Photosystem II

1998 • 187 citations

A tyrosine-derived free radical in apogalactose oxidase.

1990 • 184 citations

A Computational Analysis of Substituent Effects on the O−H Bond Dissociation Energy in Phenols: Polar Versus Radical Effects

1997 • 176 citations

Nature of the free radical in ribonucleotide reductase from Escherichia coli.

1977 • 148 citations

Spectroscopic Evidence for Reaction of Prostaglandin H Synthase-1 Tyrosyl Radical with Arachidonic Acid

1995 • 134 citations

Tyrosine radicals in photosystem II and related model compounds. Characterization by isotopic labeling and EPR spectroscopy

1990 • 132 citations

Electron paramagnetic resonance and electron nuclear double resonance spectroscopies of the radical site in galactose oxidase and of thioether-substituted phenol model compounds

1992 • 130 citations

Density functional calculations on model tyrosyl radicals

1997 • 129 citations

Theoretical Study of the Substrate Mechanism of Ribonucleotide Reductase

1998 • 101 citations

The thermal decomposition of hydroxy- and methoxy-substituted anisoles

1989 • 97 citations

Selective Oxidative Modification and Affinity Cleavage of Pigeon Liver Malic Enzyme by the Cu2+-Ascorbate System

1995 • 81 citations

Dissociation of substituted anisoles: substituent effects on bond strengths

1989 • 62 citations

Contributions of Internal Rotation to the Rotational Coefficients in Phenol

1968 • 39 citations

Physicochemical Properties of 2-Methylthio-4-methylphenol, a Model Compound of the Novel Cofactor of Galactose Oxidase

1993 • 30 citations

A comparison of electron transfer in ribonucleotide reductase and the bacterial photosynthetic reaction center

1998 • 29 citations

Evaluation of the performance of non-local and hybrid density functional theory methods for pi-radical hyperfine structures

1997 • 28 citations