Properties of pyridine and pyrazine from ab initio molecular orbital wave functions

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

1934 • 6,923 citations

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 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

Molecular Orbital Theory for Organic Chemists

1962 • 1,691 citations

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

1953 • 1,620 citations

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

1967 • 1,483 citations

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

1968 • 1,273 citations

Electronic Structure and Spectra of Nitrogen Heterocycles

1957 • 1,211 citations

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

1965 • 1,074 citations

The Molecular Orbital Theory of Organic Chemistry

1970 • 977 citations

The molecular orbital theory of organic chemistry

1969 • 918 citations

Quantum theory of molecular electronic structure

1980 • 717 citations

The theory of the electronic spectra of organic molecules

1964 • 694 citations

Ionization Potentials of Some Molecules

1957 • 571 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Study of the Electronic Structure of Molecules. IV. All-Electron SCF Wavefunction for the Ground State of Pyridine

1967 • 146 citations

Time‐dependent Hartree–Fock calculations in the Pariser–Parr–Pople model. Applications to aniline, azulene and pyridine

1970 • 125 citations

Centrifugal distortion analysis of microwave spectra of asymmetric top molecules. The microwave spectrum of pyridine

1967 • 118 citations

Extended Hückel Theory and the Shape of Molecules

1967 • 100 citations

Many-Electron Systems: Properties and Interactions

1968 • 98 citations

Interpretation of Nuclear Quadrupole Coupling in Nitrogen Containing Molecules with Ab Initio Molecular-Orbital Wavefunctions

1968 • 87 citations

Molecular g Values, Magnetic Susceptibility Anisotropies, Second Moments of the Electronic Charge Distribution, and Molecular Quadrupole Moments in Pyridine

1970 • 55 citations

SCF Studies of Pyridine and Pyrazine

1968 • 44 citations

Application of Self-Consistent Molecular Orbital Methods to π-Electrons

1957 • 41 citations