Matrix elements in all valence electron models

Approximate molecular orbital theory

1970 • 3,604 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

Théorie quantique des courants interatomiques dans les combinaisons aromatiques

1937 • 2,364 citations

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

1965 • 1,701 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

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

Propagators in Quantum Chemistry

1974 • 528 citations

Ground States of σ-Bonded Molecules. IV. The MINDO Method and Its Application to Hydrocarbons

1969 • 250 citations

Oscillator Strengths and Rotational Strengths in Hartree–Fock Theory

1969 • 156 citations

Inherent optical activity of organic disulfides

1970 • 142 citations

Semi-empirical all valence electrons SCF-MO-CNDO theory

1968 • 129 citations

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

1970 • 125 citations

Consistency requirement in the Pariser-Parr-Pople model

1967 • 124 citations

A modification of INDO for interpretation of photoelectron spectra

1972 • 78 citations

Optical properties of some heterohelicenes. Absolute configuration

1971 • 74 citations

Magneto-optical activity: Gauge-invariant calculations in the random-phase approximation

1972 • 49 citations

Introduction to All-valence electrons S.C.F. calculations of large organic molecules

2006 • 49 citations

Semi-empirical all valence electrons SCF-MO-CNDO theory

1968 • 48 citations

Gauge invariance and the magnetic properties of molecules

1971 • 40 citations

Towards an ab initio determinition of all the parameters which appear in semi-empirical quantum chemical theories

1972 • 36 citations

Determination of ? and ? parameters in approximate SCF MO theories

1970 • 21 citations

Operator equations in approximate molecular orbital theories

1971 • 19 citations

A comment on some approximations for the resonance integrals used in semi-empirical calculations

1968 • 17 citations

PPP and CNDO calculations for protonated molecules

1970 • 13 citations

MOLECULAR ORBITAL STUDY OF THE PHOTOREACTIVITY OF TRIPLET COUMARINS

1973 • 12 citations

Calculation of Moment Directions of Electronic Transitions in Nonsymmetrical Amino-Anthracenes

1972 • 11 citations

Operator equations in approximate molecular orbital theories

1972 • 10 citations

Effects of polarization on charge distributions and integral approximations

1973 • 9 citations

Formulas for $$\bar \beta $$ parameters and their limitations

1970 • 8 citations

On a relation proposed by Linderberg for the resonance integral in semi-empirical theories

1971 • 7 citations

The site of protonation in amino‐substituted pteridines

1973 • 6 citations

? Parameters for non-nearest neighbors

1971 • 6 citations

A generalization for the distance dependence of the resonance integral

1973 • 6 citations

Tight-binding model for the energy bands in solids

1969 • 6 citations

Spin density distributions in some radical anions exhibiting restricted rotation about a carbon-carbon bond

1971 • 6 citations

Pariser-parr-pople-theory: Linderberg's relation and empirical β-values

1971 • 6 citations

The application of Heisenberg's equation of motion to the extended Hückel model

1971 • 5 citations

Some remarks on Linderberg's relation

1973 • 5 citations

On the distance dependence of the resonance integral

1972 • 4 citations

Mutually consistent integrals for approximate scf-lcao-mo calculations

2009 • 3 citations

Spin density distributions in some fluorinated radical cations

1973 • 3 citations

Polarization directions of electronic transitions in large conjugated molecules of low symmetry

2009 • 2 citations