CNDO CI calculations on second-row molecules

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 • 6,923 citations

Approximate molecular orbital theory

1970 • 3,604 citations

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

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

1965 • 1,701 citations

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II

1953 • 1,620 citations

Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines

1968 • 1,273 citations

Electronegativity. I. Orbital Electronegativity of Neutral Atoms

1962 • 1,116 citations

Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap

1965 • 1,074 citations

Electronic Structure and Spectra of Some Nitrogen Heterocycles

1957 • 613 citations

Approximate Self-Consistent Molecular Orbital Theory. IV. Calculations on Molecules Including the Elements Sodium through Chlorine

1967 • 515 citations

Use of the CNDO Method in Spectroscopy. II. Five-Membered Rings

1968 • 423 citations

The use of the CNDO method in spectroscopy

1972 • 366 citations

Phosphabenzene and arsabenzene

1971 • 277 citations

Nitrosonium Nitrate. Isolation at 79°—205°K and Infrared Spectra of the Polymorphic Compound

1965 • 233 citations

Rydberg series in small molecules

1971 • 156 citations

Applications of photoelectron spectroscopy. 41. Photoelectron spectra of phosphabenzene, arsabenzene, and stibabenzene

1973 • 148 citations

772. Magnetic perturbation of singlet–triplet transitions. Part II

1957 • 111 citations

The absorption spectra of the cyclic dienes in the vacuum ultra-violet

1941 • 106 citations

Use of the CNDO method in spectroscopy. VIII. Molecules containing boron, fluorine, and chlorine

1973 • 92 citations

Microwave Spectra of Thiophene, 2- and 3-Monodeutero, 3,3′-Dideutero, and Tetradeuterothiophene. Structure of the Thiophene Molecule

1956 • 91 citations

Rydberg series in small molecules

1971 • 91 citations

A self consistent field molecular orbital investigation of the importance of d orbital participation in the ground state of thiophene

1968 • 73 citations

MO-SCF-LCAO studies of sulphur compounds

1972 • 62 citations

Bonding Contribution of Sulfur d Orbitals in Thiophene. An Extension of the Self-Consistent Field Molecular Orbital Method¹

1966 • 60 citations

The Electronic Structures of Unstable Intermediates. Benzyne and Hetarynes

1969 • 52 citations

MO-SCF-LCAO studies of sulphur compounds

1971 • 52 citations

Les champs "self-consistents" de Hartree et de Fock

1934 • 44 citations

The microwave spectrum, dipole moment and low frequency vibrational states for phosphabenzene

1972 • 44 citations

Kristallstruktur von 2,6‐Dimethyl‐4‐phenylphosphabenzol

1968 • 40 citations

Über die Reihenfolge der obersten besetzten Molekülorbitale im Phosphorin‐System

1971 • 31 citations

A CNDO/2 approach to the electronic structure of phosphabenzenes

1970 • 30 citations

Sequence of Highest Occupied Molecular Orbitals in the Phosphorin System

1971 • 29 citations

Ab initio calculations, including d-orbitals, of the electronic structure of thiophen

1970 • 29 citations

Ultraviolet spectra and parameters in SCF-mo calculations on sulphur containing hetero-aromatic systems

1969 • 21 citations

Long Wavelength Absorption Band of Thiophene

1952 • 19 citations

Ultraviolet absorption spectra in the thiophene series halogen and nitro derivatives

1953 • 19 citations

Étude théorique des spectres électroniques de dérivés sulfurés

1972 • 18 citations

NEAR ULTRAVIOLET ABSORPTION OF THE METHYLTHIOPHENES

1960 • 11 citations

Sullo spettro ultravioletto di assorbimento del pirrolo e del N-deuteriopirrolo in fase gassosa

1941 • 10 citations

Zur geometrie des 6a-thiathiophthens

1972 • 4 citations