Semiempirical Calculations of Some 2H and 14N Nuclear Quadrupole Coupling Constants

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

An Extended Hückel Theory. I. Hydrocarbons

1963 • 4,551 citations

The Spectra and Electronic Structure of the Tetrahedral Ions MnO4−, CrO4−−, and ClO4−

1952 • 1,468 citations

Electronegativity. I. Orbital Electronegativity of Neutral Atoms

1962 • 1,116 citations

Determination of Electronic Structure of Molecules from Nuclear Quadrupole Effects

1949 • 1,020 citations

Tables of Atomic Functions

1965 • 551 citations

ELECTRONEGATIVITY. IV. ORBITAL ELECTRONEGATIVITIES OF THE NEUTRAL ATOMS OF THE PERIODS THREE A AND FOUR A AND OF POSITIVE IONS OF PERIODS ONE AND TWO

1963 • 266 citations

Simple Basis Set for Molecular Wavefunctions Containing First- and Second-Row Atoms

1964 • 245 citations

Structural studies of linear molecules by microwave spectroscopy

1963 • 197 citations

Interpretation of Nuclear Quadrupole Coupling in Nitrogen Containing Molecules with Ab Initio Molecular-Orbital Wavefunctions

1968 • 87 citations

Field Gradients at the Deuteron in Molecules

1960 • 71 citations

Nuclear Quadrupole Coupling in Polyatomic Molecules

1965 • 61 citations

Bonding in Phosphorus(V) Chlorofluorides¹

1966 • 58 citations

CORRELATION OF NUCLEAR QUADRUPOLE COUPLING CONSTANTS WITH MOLECULAR ELECTRONIC STRUCTURE USING MOLECULAR ORBITAL THEORY

1966 • 52 citations

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

1968 • 48 citations

Nitrogen principal field gradient tensor, bonding, and barrier to proton tunneling in ethylenimine

1968 • 39 citations

Nitrogen-14 nuclear quadrupole and spin-rotation coupling constants in methyl isocyanide and methyl cyanide

1967 • 37 citations

Dipole Moment and Electric Quadrupole Effects in HNCO and HNCS

1951 • 24 citations

.sigma.- and .pi.-Bonding effects in the coordination of the cyano group

1967 • 20 citations

14N Quadrupole Coupling Constants in N2O by High-Resolution Microwave Spectroscopy

1966 • 19 citations

Quadrupole Coupling Constants from the Microwave Spectrum of Hydrazoic Acid

1963 • 14 citations