MNDO study of ozone and its decomposition into (O2 + 0)

Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures

1965 • 1,701 citations

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

1975 • 1,642 citations

Self-Consistent Orbitals for Radicals

1954 • 1,548 citations

Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap

1967 • 1,483 citations

Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital method

1972 • 802 citations

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

1973 • 490 citations

Ground states of molecules. XXVI. MINDO/3 calculations for hydrocarbons

1975 • 406 citations

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

1975 • 404 citations

The Electronic Mechanism of Electrocyclic Reactions

1965 • 394 citations

Rapid geometry optimization for semi-empirical molecular orbital methods

1971 • 342 citations

Ground states of conjugated molecules. IX. Hydrocarbon radicals and radical ions

1968 • 324 citations

Structure of transition states. Are they symmetric

1974 • 289 citations

Coriolis interaction and anharmonic potential function of ozone from the microwave spectra in the excited vibrational states

1970 • 270 citations

Ground states of molecules. XXVII. MINDO/3 calculations for carbon, hydrogen, oxygen, and nitrogen species

1975 • 249 citations

Configuration interaction studies of O3 and O+3. Ground and excited states

1975 • 220 citations

Ground states of molecules. XXVIII. MINDO/3 calculations for compounds containing carbon, hydrogen, fluorine, and chlorine

1975 • 176 citations

Ground states of molecules. XXX. MINDO/3 study of reactions of singlet (1.DELTA.g) oxygen with carbon-carbon double bonds

1975 • 107 citations

Millimeter wave spectrum of ozone

1971 • 81 citations

Theoretical results for the excited states of ozone

1972 • 75 citations

High Resolution Photoelectron Spectroscopy of Ozone

1974 • 70 citations

Molecular orbital study of the ground and excited states of ozone

1976 • 68 citations

Theoretical evidence for bound electronic excited states of ozone

1973 • 65 citations

He (I) and He (II) photoelectron spectra of ozone

1974 • 56 citations

Investigations on the Unrestricted Hartree–Fock Method as a Tool for Computing Potential Surfaces

1970 • 49 citations

Photoion and photoelectron spectroscopy of oxygen

1975 • 48 citations

Strongly bent excited states of ozone

1974 • 22 citations

Unsymmetrical 1B2 (ππ∗) state of ozone

1973 • 21 citations

Comparison of INDO [intermediate neglect of differential overlap] and ab initio methods for the correlated wave functions of the ground and excited states of ozone

1974 • 18 citations

Theoretical study, including correlation effects, of the low-energy photoelectron spectrum of ozone

1975 • 14 citations