Nitrogen nuclear quadrupole coupling constants in heterocyclic molecules from ab initio molecular-orbital wavefunctions

Study of the Electronic Structure of Molecules. IV. All-Electron SCF Wavefunction for the Ground State of Pyridine

1967 • 146 citations

Study of the Electronic Structure of Molecules. III. Pyrrole Ground-State Wavefunction

1967 • 145 citations

Centrifugal distortion analysis of microwave spectra of asymmetric top molecules. The microwave spectrum of pyridine

1967 • 118 citations

Molecular Structure, Dipole Moment, and Quadrupole Coupling Constants of Diazirine

1962 • 93 citations

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

1968 • 87 citations

Study of the Electronic Structure of Molecules. V. All-Electron SCF Wavefunction for the Ground State of Pyrazine

1967 • 83 citations

The nitrogen atom orbital populations in the azabenzenes as determined by their¹⁴N nuclear quadrupole coupling constants

1966 • 63 citations

Analyse conformationnelle th�orique III. Etude ab initio SCF-LCAO-MO de l'inversion de l'azote dans l'Aziridine et dans l'Oxaziridine

1969 • 61 citations

“Ab Initio” Calculation of the Quadrupole Coupling Constant of 14N in HCN, FCN, ClCN, HC2CN, CN−, OCN−, SCN− and the Examination of the Townes–Dailey Interpretation in Terms of Exclusive Orbitals

1969 • 56 citations

Pure quadrupole resonance of¹⁴N in some five-membered heterocyclic compounds

1968 • 40 citations

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

1968 • 39 citations

Nuclear quadrupole resonance in 5-membered heterocycles: Pyrazole, imidazole, 1, 2, 4-triazole

1967 • 35 citations