Quantum-chemical study of reaction routes and centers in the interaction of propylene with an oxide catalyst surface

Ground states of molecules. XXV. MINDO/3. Improved version of the MINDO semiempirical SCF-MO method

1975 • 1,642 citations

Catalytic Oxidation of Olefins

1967 • 201 citations

The evaluation of the one-centre integrals in the semi-empirical molecular orbital theory

1966 • 107 citations

Adsorption equilibria and rates of reactions of adsorbed compounds on reduced and oxidized Bi$z.sbnd;Mo catalysts

1971 • 91 citations

Approximate molecular orbital theory for inorganic molecules

1970 • 85 citations

The extent of charge localization on oxygen ions and catalytic activity on solid state oxides in allylic oxidation of propylene

1979 • 50 citations

Approximate molecular orbital theory for inorganic molecules

1970 • 40 citations

Prediction of the catalytic action of oxide catalysts in allyl oxidation of propylene

1977 • 38 citations

Quantum chemical study of catalytic isomerization of olefins II. Intramolecular hydrogen shift in the presence of a basic center

1977 • 9 citations

Reactivity of molecular forms of adsorbed oxygen on the surface of titanium dioxide

1975 • 2 citations

A model for interaction between methane and silica

1978 • 2 citations