Floating Spherical Gaussian Orbital Model of Molecular Structure. I. Computational Procedure. LiH as an Example

The Nature of the Chemical Bond

1939 • 13,296 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Forces in Molecules

1939 • 3,570 citations

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1950 • 2,996 citations

Wechselwirkung neutraler Atome und hom�opolare Bindung nach der Quantenmechanik

1927 • 1,778 citations

THE ATOM AND THE MOLECULE.

1916 • 1,594 citations

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

1950 • 1,204 citations

THE NATURE OF THE CHEMICAL BOND. APPLICATION OF RESULTS OBTAINED FROM THE QUANTUM MECHANICS AND FROM A THEORY OF PARAMAGNETIC SUSCEPTIBILITY TO THE STRUCTURE OF MOLECULES

1931 • 1,197 citations

Einführung in die Quantenchemie

2015 • 548 citations

THE ARRANGEMENT OF ELECTRONS IN ATOMS AND MOLECULES.

1919 • 451 citations

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

1966 • 432 citations

Valence and the structure of atoms and molecules

1923 • 362 citations

Molecular Energy Levels and Valence Bonds

1931 • 340 citations

The Assignment of Quantum Numbers for Electrons in Molecules. I

1928 • 326 citations

The electronic structure of some diatomic molecules

1929 • 310 citations

Localized Atomic and Molecular Orbitals. II

1965 • 305 citations

Zur Deutung der Molekelspektren. I

1927 • 305 citations

Bemerkung zum Virialsatz

1930 • 275 citations

Gaussian Expansion of Hydrogen-Atom Wavefunctions

1963 • 201 citations

Electronic Structures of Polyatomic Molecules and Valence. II. General Considerations

1932 • 194 citations

Use of Gaussian Functions in the Calculation of Wavefunctions for Small Molecules. I. Preliminary Investigations

1963 • 192 citations

Zur Deutung der Molekelspektren. II

1927 • 180 citations

THE NATURE OF THE CHEMICAL BOND. III. THE TRANSITION FROM ONE EXTREME BOND TYPE TO ANOTHER

1932 • 157 citations

Electronic Structures of Polyatomic Molecules and Valence

1932 • 153 citations

The molecular orbital theory of chemical valency. III. Properties of molecular orbitals

1950 • 123 citations

The electrostatic calculation of molecular energies - I. Methods of calculating molecular energies

1954 • 111 citations

Non-empirical LCAO-MO-SCF-CI calculations on organic molecules with Gaussian type functions

1966 • 108 citations

Electronic Structure of LiH and Quadrupole Moment of Li⁷

1963 • 96 citations

The Assignment of Quantum Numbers for Electrons in Molecules. III. Diatomic Hydrides

1929 • 64 citations

Use of 1s Gaussian Wavefunctions for Molecular Calculations. I. The Hydrogen Atom and the Hydrogen Molecule Ion

1965 • 63 citations

Difference methods for the numerical solution of problems in gas dynamics

1963 • 61 citations

Application of the Virial Theorem to Approximate Molecular and Metallic Eigenfunctions

1937 • 56 citations

The Energy of the Hydrogen Molecule

1950 • 52 citations

Floating Wave Functions for H2+ and H2

1958 • 51 citations

A simple floating localized orbital model of molecular structure

1967 • 45 citations

Localized Orbitals for NH3, C2H4, and C2H2

1967 • 44 citations

On the Gaussian-Lobe Representation of Atomic Orbitals

1967 • 36 citations

Das SCF-LCGO-MO-Verfahren

1964 • 33 citations

Method for Computing Multicenter One- and Two-Electron Integrals

1965 • 29 citations

The Nature of the Chemical Bond in Lithium Hydride and Hydrogen Fluoride

1966 • 29 citations

The assignment of quantum numbers for electrons in molecules. Extracts from Phys. Rev. 32, 186–222 (1928), plus currently written annotations

1967 • 24 citations

Electronic Density Distribution in Lithium Hydride

1966 • 21 citations

Non-empirical LCAO-MO-SCF-CI calculations on organic molecules with Graussian type functions

1967 • 19 citations

Quantum chemistry: The early period

1967 • 17 citations

Off-Center Hydrogen Atom Calculations

1964 • 15 citations

The current state of solid‐state and molecular theory

1967 • 14 citations