Configuration Interaction Studies of Ground and Excited States of Polyatomic Molecules. I. The CI Formulation and Studies of Formaldehyde

Characterization of electronic transitions in complex molecules

1950 • 2,553 citations

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

1953 • 1,947 citations

Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to Another

1960 • 1,204 citations

Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron Correlations

1962 • 523 citations

Configuration Interaction in Simple Atomic Systems

1961 • 438 citations

Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First-Row Atoms and Ethylene

1966 • 432 citations

Electronic states of azabenzenes: A critical review

1967 • 354 citations

An application of perturbation theory ideas in configuration interaction calculations

1968 • 256 citations

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

Intensity of the Symmetry-Forbidden Electronic Absorption Band of Formaldehyde

1957 • 169 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

Ab Initio Calculations on 62 Low-Lying States of the O2 Molecule

1968 • 142 citations

Study of formaldehyde by a ‘self-consistent electronegativity’ molecular–orbital method

1958 • 137 citations

The Long Wave-Length Spectra of Aldehydes and Ketones Part I. Saturated Aldehydes and Ketones

1941 • 134 citations

Nonempirical Calculations on Excited States: The Formaldehyde Molecule

1968 • 130 citations

Approximate Methods in the Quantum Theory of Many-Fermion Systems

1961 • 125 citations

THE NATURE OF FORMALDEHYDE IN ITS LOW-LYING EXCITED STATES

1958 • 107 citations

Electronic Spectra and Structure of the Carbonyl Group

1957 • 105 citations

Calculation of n→II Transition Energies in N-Heterocyclic Molecules by a One-Electron Approximation

1959 • 100 citations

Spin-Orbit Coupling in the 3A2—1A1 Transition of Formaldehyde

1958 • 100 citations

Atomic Multiconfiguration Self-Consistent-Field Wavefunctions

1969 • 98 citations

The Far Ultraviolet Absorption Spectra of Formaldehyde and the Alkyl Derivatives of H2O and H2S

1935 • 94 citations

Ab Initio SCF MO and CI Calculations on the Electronic Spectrum of Benzene

1968 • 93 citations

Correlation Energy and Molecular Properties of Hydrogen Fluoride

1967 • 85 citations

Convergence studies in configuration interaction calculations

1968 • 83 citations

Magnetic dipole transition in the electronic spectrum of formaldehyde

1963 • 82 citations

Extended Hückel theory—vi

1966 • 67 citations

Theory of Electronic Excitation and Reorganization in the Formaldehyde Molecule

1960 • 61 citations

Effect of Ring Size on the Far Ultraviolet Absorption and Photolysis of Cyclic Ethers

1959 • 60 citations

Struktur und Aktivierung der Molekel des Formaldehyds

1928 • 57 citations

Relationships between AB2 and HnAB2 Molecular Spectra and Geometry: Accurate SCF MO and CI Calculations for Various States of HCOO−

1967 • 53 citations

SOME RESULTS OF THE HIGH DISPERSION ELECTRONIC EMISSION SPECTRUM OF FORMALDEHYDE

1956 • 52 citations

Rotational Fine Structure in the 3A2←1A1, π*←n Transition of Formaldehyde

1959 • 49 citations

Long Wave Ultraviolet Spectrum of Formaldehyde

1956 • 47 citations

Mechanism of Long Wave-Length Absorption of the Carbonyl Group

1940 • 39 citations

3546-Å System of Formaldehyde

1965 • 27 citations

The 3960A absorption system of H2CO vapor

1958 • 22 citations

Calculation on the Electronic States of the Formaldehyde Molecule by a Semiempirical Molecular Orbital Method

1957 • 22 citations

1 A 2←1A1 Transition of Formaldehyde

1966 • 15 citations

SCF—MO—LCAO—CI Treatment of the Pi-Electronic Structure of Formaldehyde Using Ohno's Formula for βCO and Constrained to Satisfy Koopmans' Theorem Exactly

1967 • 9 citations