The Iterative Extended H�ckel Method (IEHM)

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. II. Overlap Populations, Bond Orders, and Covalent Bond Energies

1955 • 1,933 citations

Molecular Orbital Theory for Organic Chemists

1962 • 1,691 citations

Molecular Orbital Theory for Organic Chemists

2013 • 1,498 citations

Electronegativity. I. Orbital Electronegativity of Neutral Atoms

1962 • 1,116 citations

Boron Hydrides: LCAO—MO and Resonance Studies

1962 • 463 citations

Calculation of the Barrier to Internal Rotation in Ethane

1963 • 185 citations

Semiempirical Molecular Orbitals for General Polyatomic Molecules. II. One-Electron Model Prediction of the H–O–H Angle

1965 • 176 citations

Iterative Extended Hückel Theory

1966 • 132 citations

Semiempirical Molecular Orbital Calculations. I. The Electronic Structure of H₂O and H₂S

1966 • 126 citations

Barrier to Internal Rotation in Ethane

1966 • 113 citations

Extended Hückel Theory and the Shape of Molecules

1967 • 100 citations

Hartree—Fock Approximation of CH4 and NH4+

1963 • 83 citations

Ethylene Molecule in a Gaussian Basis. I. A Self-Consistent-Field Calculation

1965 • 76 citations

Preliminary Results of a Self-Consistent-Field Study of the Benzene Molecule

1965 • 70 citations

Molecular Orbitals of Diborane in Terms of a Gaussian Basis

1965 • 60 citations

EXTENDED HÜCKEL THEORY AND MOLECULAR HARTREE-FOCK SCF THEORY

1964 • 59 citations

Nuclear Magnetic Resonance Spectra and Structure of Borohydride Ion and Diborane

1954 • 49 citations

Optimized Minimum-Basis-Set SCF Calculations on BH3 and B2H6

1966 • 30 citations

Self-Consistent Field Calculation of the Ground State of Methane

1964 • 27 citations

Electronic Structure of Diborane

1957 • 24 citations

Optimized Minimum Basis Set for BH4−

1967 • 17 citations

ω-Modification of extended Hückel theory

1966 • 5 citations

A CLOSED FORM ANALYSIS OF THE LCAO-MO ι-TECHNIQUE. II. MECHANICS OF THE TECHNIQUE

1962 • 4 citations