Theoretical calculation of electric dipole moments for conjugated systems

Electron interaction in unsaturated hydrocarbons

1953 • 2,020 citations

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

1953 • 1,947 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

Tables of experimental dipole moments

1963 • 1,571 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

A Study of Two-Center Integrals Useful in Calculations on Molecular Structure. I

1951 • 753 citations

Quantum theory of molecular electronic structure

1980 • 717 citations

Electronic Structure and Spectra of Some Nitrogen Heterocycles

1957 • 613 citations

An Improvement in the π-Electron Approximation in LCAO MO Theory

1953 • 351 citations

Electronic Structure of N2, CO, and BF

1964 • 286 citations

Tables of Interatomic Distances and Configuration in Molecules and Ions, herausgeg. von A. D. Mitchell und L. C. Cross. Special Publication No. 11. Wiss. Herausgeber: L. E. Sutton. The Chemical Society, London 1958. 1. Aufl., 385 S., geb. £ 2.2.0

1961 • 279 citations

Present State of Molecular Structure Calculations

1960 • 267 citations

The measure of electronegativity

1953 • 217 citations

One-Center Basis Set SCF MO's. I. HF, CH4, and SiH4

1964 • 192 citations

The calculation of the electric dipole moments of some conjugated heterocyclic compounds

1951 • 186 citations

Electronic Spectrum and Structure of Azulene

1956 • 172 citations

A Quantum Variational Calculation for HCHO

1960 • 166 citations

Analysis of Charge Distributions: Hydrogen Fluoride

1964 • 141 citations

Microwave Determination of the Structure of Pyridine

1954 • 140 citations

Microwave Determination of the Structure of Pyrrole

1956 • 139 citations

Study of formaldehyde by a ‘self-consistent electronegativity’ molecular–orbital method

1958 • 137 citations

Microwave Spectrum of O18 Formic Acid and Structure of Formic Acid

1960 • 129 citations

Approximate Hartree-Fock Calculations for the Hydrogen Fluoride Molecule

1962 • 128 citations

A Semi-empirical Approach to the SCF Molecular Orbitals

1955 • 124 citations

The crystal and molecular structure of azulene

1962 • 116 citations

Electronic Spectra and Structure of the Carbonyl Group

1957 • 105 citations

The microwave spectrum and dipole moment of azulene

1965 • 102 citations

Gaussian Wavefunctions for the 10-Electron Systems. III. OH−, H2O, H3O+

1965 • 94 citations

Constrained Molecular Wavefunctions: HF Molecule

1963 • 89 citations

The 'Variable Electronegativity ' Method. II. Pyrrole

1959 • 89 citations

The Normal State of the Hydrogen Molecule-Ion

1933 • 78 citations

Microwave spectra of deuterated furans. Structure of the furan molecule

1955 • 74 citations

Study of the Electronic Ground State of the Ammonia Molecule

1957 • 72 citations

Microwave Spectrum of N-Methyl Methylenimine

1964 • 71 citations

Electronic Structure of Ammonia

1957 • 70 citations

SEMIEMPIRICAL SCF–LCAO–MO TREATMENT OF THIOPHENE, FURAN, AND PYRROLE

1965 • 67 citations

The Variable Electronegativity Method. V. Pyridine, the Pyridinium Cation, and the Evaluation of Core-Attraction Integrals

1959 • 62 citations

Coulomb repulsion integrals (pp¦pp) and bonding power of an atom in a given valence state

1956 • 60 citations

Binding Regions in Polyatomic Molecules and Electron Density Distributions

1964 • 55 citations

Calculations on the Electronic Structure of the Normal State of Formaldehyde

1960 • 55 citations

The electronic structure of oxygen and sulfur heterocycles

1963 • 54 citations

LCAO Wave Functions for Hydrogen Fluoride with Hartree-Fock Atomic Orbitals

1959 • 48 citations

Electron-Density Distributions in Hydride Molecules. The Ammonia Molecule

1963 • 46 citations

A theoretical study of the chemisty of Furan, Phrrole, Benzofuran, Indole, Dibenzofuran, and Carbazole

1959 • 44 citations

An LCAO MO Self-Consistent Field Calculation of the Ground State of H2O

1953 • 43 citations

Electronic Structure and Binding Energy of Carbon Monoxide

1960 • 43 citations

A quantum-mechanical investigation of the azulene molecule. Part I

1948 • 42 citations

Self consistent field molecular orbital calculation for pyrrole

1963 • 40 citations

Some considerations on the dipole moments of azines

1958 • 37 citations

Non-planarity of the aniline molecule

1966 • 33 citations

On the dipole moments and chemical properties of pyrazole and imidazole

1962 • 32 citations

Gaussian Wavefunctions for the 10-Electron Systems. II. Hydrogen Fluoride

1964 • 31 citations

The Variable Electronegativity Method. IV. Glyoxaline, Its Cation and Anion

1959 • 28 citations

626. Electrophilic substitution. Part XII. The nitration of diphenylmethane, fluorene, diphenyl ether, dibenzofuran, diphenylamine, and carbazole; relative reactivities and partial rate factors

1958 • 27 citations

THEORETICAL STUDIES ON THE ELECTRONIC SPECTRA OF SUBSTITUTED AROMATIC MOLECULES: PART II. SEMIEMPIRICAL SELF-CONSISTENT FIELD CALCULATIONS ON ANILINE

1964 • 25 citations

The molecular-orbital parameters for conjugated nitrogen atoms

1957 • 24 citations

61. Electrophilic substitution. Part VIII. The nitration of dibenzofuran and a new method of ultraviolet spectrophotometric analysis of mixtures

1957 • 23 citations

Structure �lectronique du furanne m�thode L.C.A. O. am�lior�e

1964 • 22 citations

The Dipole Moments of Some Heptafulvene Derivatives

1960 • 21 citations

THE ELECTRON DENSITY DISTRIBUTIONS IN HYDRIDE MOLECULES: III. HYDROGEN FLUORIDE

1963 • 20 citations

The Variable Electronegativity Method. VII. Pyrazole, Its Anion and Cation

1960 • 20 citations

Dipole Moment Studies. IV. Trends in Dipole Moments

1966 • 20 citations

An application of the semi-empirical MO-LCAO method to indoxazene and anthranil

1960 • 19 citations

The Variable Electronegativity Method. VI. Azulene

1960 • 19 citations

SEMIEMPIRICAL SCF CALCULATIONS ON AZULENE AND ITS SINGLY CHARGED IONS

1965 • 16 citations

Structure électronique, propriétés physico-chimiques et chimiques de l'acénaphtylène, du fluoranthène et de composés apparentés

1951 • 14 citations

Traitement L.C.A.O. amélioré des molécules conjuguées

1960 • 13 citations

Structure électronique du fulvène : étude par la méthode du champ moléculaire self-consistent

1953 • 12 citations

Structure electronique de derives heterocycliques azotes

1965 • 11 citations

N° 106. — Étude de la conjugaison du doublet électronique de l’azote, avec un système insaturé (méthode L.C.A.O. améliorée)

1962 • 11 citations

Structure électronique de l’heptafulvène étude par la méthode du champ moléculaire self-consistent

1955 • 11 citations

Recherches théoriques sur les composés oxygénés

1958 • 11 citations

Electric-Field Gradient at the Oxygen Nucleus in CO and the Dipole Moment of CO

1963 • 10 citations

Charge distribution and dipole moment of pyridine

1957 • 9 citations

Studies of the molecular-orbital theory of chemical reactivity—I

1962 • 9 citations

Dipole moments of substituted 1,1-dicyanoethylenes

1966 • 9 citations

N° 43. — Structure électronique de l’azulène et du fulvène : (méthode L.C.A.O. améliorée)

1962 • 9 citations

π-Electronic Structure of the HCN Molecule

1955 • 8 citations

Structure électronique du fulvène : étude par la méthode L.C.A.O. améliorée

1960 • 7 citations

N° 95. — Structure électronique de l’heptafulvène : méthode L.C.A.O. améliorée

1962 • 6 citations

Dipole Moment of the HCN Molecule

1956 • 5 citations

Structure �lectronique de l'o-benzoquinone (m�thode L.C.A.O. am�lior�e)

1965 • 5 citations

Etude théorique et expérimentale des moments polaires des molécules de la série du dinapthylène

1949 • 4 citations

Calculated bond lengths in some cyclic compounds. Part III. Benzoic acid

1955 • 3 citations