Emploi de méthodes matricielles pour le calcul de la structure électronique des grandes molécules conjuguées
Data up to Jan 2025
Total Citations Per Year
Abstract
References (21)
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
1955 • 10,259 citations
New Developments in Molecular Orbital Theory
1951 • 5,347 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
A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.
1953 • 1,947 citations
Self-Consistent Field Theory for Open Shells of Electronic Systems
1960 • 1,927 citations
A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. II
1953 • 1,620 citations
Self-Consistent Orbitals for Radicals
1954 • 1,548 citations
Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects
1955 • 1,103 citations
Calculations of the Lower Excited Levels of Benzene
1938 • 498 citations
An Improvement in the π-Electron Approximation in LCAO MO Theory
1953 • 351 citations
The measure of electronegativity
1953 • 217 citations
On the Three- and Four-Center Integrals in Molecular Quantum Mechanics
1951 • 181 citations
LCAO Self-Consistent Field Calculation of the π-Electron Energy Levels of cis- and trans−1,3-Butadiene
1950 • 126 citations
Configurations électroniques incomplètes
1954 • 85 citations
Sur les états électroniques des protéines
1961 • 72 citations
Calculations on the Electronic Structure of the Normal State of Formaldehyde
1960 • 55 citations
Nouveau procédé de calcul semi-théorique des intégrales coulombiennes mono et dicentriques
1958 • 43 citations
Étude de l’azulène par la méthode du champ moléculaire self-consistant
1955 • 21 citations
On the non-orthogonality problem in the semi-empirical MO-LCAO method
1960 • 18 citations
Recherches théoriques sur les composés oxygénés
1958 • 11 citations
Nouveau procédé de calcul semi-théorique des intégrales électroniques (Suite)
1959 • 10 citations