Ab-Initio Molecular Orbital Studies of Structure and Reactivity of Transition Metal-OXO Compounds

Molecular Spectra and Molecular Structure

1979 • 15,902 citations

Constants of diatomic molecules

1979 • 5,108 citations

An interpretation of the magnetic properties of the perovskite-type mixed crystals La1−xSrxCoO3−λ

1958 • 1,249 citations

Oxygen Activation by Cytochrome P-4501

1980 • 1,013 citations

Generalized valence bond description of bonding in low-lying states of molecules

1973 • 490 citations

Epoxidation reactions catalyzed by iron porphyrins. Oxygen transfer from iodosylbenzene

1983 • 459 citations

The electronic structures of biradicals in the unrestricted Hartree-Fock approximation

1975 • 404 citations

Hydrocarbon oxidations with oxometalloporphinates. Isolation and reactions of a (porphinato)manganese(V) complex

1980 • 382 citations

Aliphatic hydroxylation catalyzed by iron porphyrin complexes

1983 • 369 citations

Chromyl chloride oxidations of olefins. Possible role of organometallic intermediates in the oxidations of olefins by oxo transition metal species

1977 • 354 citations

P-450 type oxygen activation by porphyrin-manganese complex

1979 • 213 citations

Stereochemistry and deuterium isotope effects in camphor hydroxylation by the cytochrome P450cam monooxygenase system

1982 • 189 citations

Electrons in chemical reactions, first principles

1983 • 175 citations

Electrons in chemical reactions: First principles

1982 • 164 citations

Hydrocarbon oxidation by high-valent Group VI oxides

1982 • 159 citations

Oxygenation patterns for iron(II) porphyrins. Peroxo and ferryl (FeIVO) intermediates detected by proton nuclear magnetic resonance spectroscopy during the oxygenation of (tetramesitylporphyrin)iron(II)

1984 • 154 citations

Reaction of Cr+, Mn+, Fe+, Co+, and Ni+ with O2 and N2O. Examination of the translational energy dependence of the cross sections of endothermic reactions

1982 • 152 citations

Binuclear oxygen carriers: hemerythrin

1984 • 127 citations

Metalloporphyrins with unusual geometries. 1. Mono-, di-, triatom-bridged porphyrin dimers

1981 • 121 citations

Oxidation of ruthenium(II) and ruthenium(III) porphyrins. Crystal structures of .mu.-oxo-bis[(p-methylphenoxo)(meso-tetraphenylporphyrinato)ruthenium(IV)] and ethoxo(meso-tetraphenylporphyrinato)(ethanol)ruthenium(III)-bisethanol

1984 • 117 citations

Oxidation of transition-metal cations in the gas phase. Oxygen bond dissociation energies and formation of an excited-state product

1981 • 115 citations

Electronic structure calculations on active site models for 4-Fe,4-S iron-sulfur proteins

1982 • 104 citations

A systematic preparation of new contracted Gaussian-type orbital basis sets. II. Test basis set for Cu2 molecule with and without splitting of the outer orbitals

1980 • 97 citations

Purification, enzymatic properties, and active site environment of a novel manganese(III)-containing acid phosphatase.

1981 • 92 citations

Bleomycin as an oxene transferase. Catalytic oxygen transfer to olefins

1985 • 89 citations

Study of (tetraphenylporphinato)manganese(III)-catalyzed epoxidation and demethylation using p-cyano-N,N-dimethylaniline N-oxide as oxygen donor in a homogeneous system. Kinetics, radiochemical ligation studies, and reaction mechanism for a model of cytochrome P-450

1984 • 73 citations

On the nature of the low-lying states of TiO

1983 • 67 citations

Stereospecific, regioselective, and catalytic monoepoxidation of polyolefins by the use of a P-450 model, dihydrogen-dioxygen-TPP.cntdot.Mn-colloidal platinum

1984 • 64 citations

Lipophilic lithium ion carriers

1983 • 64 citations

Copper ion mediated epoxidation of olefins by iodosylbenzene

1984 • 59 citations

The chromium methylidene cation: CrCH2+

1984 • 58 citations

Geometry optimization of the ring-opened oxirane diradical: mechanism of the addition reaction of the triplet oxygen atom to olefins

1980 • 51 citations

High-spin molecules

1980 • 48 citations

Mechanistic characterization of the thermal ring-opening of three-membered cyclic compounds

1973 • 45 citations

Application of tritium NMR spectroscopy in the determination of the stereochemistry of dehydrogenation of isobutyryl CoA in Pseudomonas putida

1980 • 44 citations

Heisenberg models of radical reactions: Local spin (magnetic) symmetry conservations of biradical species

1977 • 34 citations

A study of the first ionization potential of the CrO(X⁵Π) molecule with high-temperature photoelectron spectroscopy

1983 • 32 citations

The Superexchange Interaction between Cr⁺³ pair in Chromium Bi-nuclear Complex Ions.

1960 • 21 citations

Palladium(II)-catalyzed epoxidation of olefins with α-silyloxyalkyl peroxybenzoates

1984 • 20 citations

An Mo-theoretical characterization of organic reaction mechanisms—IV

1974 • 20 citations

Geometry optimizations of the dioxetane, perepoxide and 1,4-diradicals for the ethylene plus molecular oxygen system: mechanism of photooxygenation of olefins

1981 • 17 citations