A theoretical study of the vertical ionization potentials of HNO, FNO, O3, CF2 and N2H2

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 • 6,923 citations

Direct calculation of ionization energies

1973 • 540 citations

467. The electronic orbitals, shapes, and spectra of polyatomic molecules. Part II. Non-hydride AB2 and BAC molecules

1953 • 401 citations

THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE

1958 • 236 citations

Configuration interaction studies of O3 and O+3. Ground and excited states

1975 • 220 citations

Improved calculations of ionization potentials of closed-shell molecules

1973 • 177 citations

The use of Koopmans' Theorem in the interpretation of photoelectron spectra

1969 • 150 citations

Perturbation corrections to Koopmans' theorem. I. Double-zeta Slater-type-orbital basis

1974 • 126 citations

Geometry of Ozone and Azide Ion in Ground and Certain Excited States

1967 • 118 citations

Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 4.—Difluoromethylene and ozone

1974 • 116 citations

Structure of Ozone from the Microwave Spectrum between 9000 and 45 000 Mc

1956 • 92 citations

Perturbation corrections to Koopmans' theorem. II. A study of basis set variation

1974 • 82 citations

Electronic States of the Azoalkanes

1967 • 82 citations

Photoelectron spectroscopy of transient species. The CS molecule

1972 • 73 citations

Perturbation corrections to Koopmans' theorem. III. Extension to molecules containing Si, P, S, and Cl and comparison with other methods

1974 • 73 citations

High Resolution Photoelectron Spectroscopy of Ozone

1974 • 70 citations

A simple explanation of the breakdown of koopmans' theorem for F2 and N2

1974 • 69 citations

The high resolution photoelectron spectrum of CS

1972 • 68 citations

Self-consistent-field wave functions, energies, multipole moments, diamagnetic susceptibility and shielding tensors, and electric field gradient tensors for nitrogen dioxide and ozone

1971 • 63 citations

Molecular properties of the triatomic difluorides beryllium difluoride, boron difluoride, difluoromethylene, nitrogen difluoride and oxygen difluoride

1973 • 61 citations

Theoretical studies of molecular ions. The ionization potential and electron affinity of BH

1975 • 59 citations

2500-Å Absorption Spectrum of CF2

1966 • 58 citations

He (I) and He (II) photoelectron spectra of ozone

1974 • 56 citations

Quantum Organic Photochemistry. IV. The Photoisomerization of Diimide and Azoalkanes

1973 • 50 citations

Theoretical description of the diimide molecule

1975 • 47 citations

Theoretical study of the electronic spectrum of diimide by AB initio methods

1975 • 46 citations

Calculation of Koopmans' defect using semiempirical molecular orbital methods

1974 • 45 citations

Minimal-Basis-Set LCAO–SCF–MO Calculations for the Ground State of O3, NO2–, NOF, and OF2 Molecules

1968 • 42 citations

Theoretical Predictions on the Structures of Diimide

1970 • 35 citations

The vertical ionization potentials of hypofluorous acid as calculated by perturbation corrections to koopmans' theorem

1974 • 34 citations

LCAO–MO–SCF Calculations Using Gaussian Basis Functions. III. Determination of Geometry by SCF Calculations, CF2

1969 • 30 citations

Potential energy curves for the HNO molecule

1969 • 26 citations

Simple ab initio studies on the isomers of N2H2, Li2O, C3H4, and O3

1975 • 25 citations

Ionization Potential of the Nitroxyl Molecule

1966 • 24 citations

Vibrational potential function for diimide, HNNH

1974 • 24 citations

On the electronic structure of N2H2. A possible triplet ground state in diazines

1973 • 23 citations

The photoelectron spectrum of diazene (diimine)

1975 • 19 citations

Comparison of INDO [intermediate neglect of differential overlap] and ab initio methods for the correlated wave functions of the ground and excited states of ozone

1974 • 18 citations

Ab initio study of the molecular geometry and properties of nitrosyl fluoride

1967 • 16 citations

Molecular photoelectron spectroscopy. Part V. Ozone

1966 • 14 citations