Hartree-Fock calculation of the harmonic force constants and equilibrium geometry of formaldehyde

Gaussian-Type Functions for Polyatomic Systems. I

1965 • 4,930 citations

Gaussian-Type Functions for Polyatomic Systems. II

1969 • 3,222 citations

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1969 • 2,327 citations

Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants

1970 • 218 citations

Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules

1970 • 205 citations

Vibrational Analysis of Acetone, Acetaldehyde, and Formaldehyde

1966 • 195 citations

Millimeter Wave Spectrum of Formaldehyde

1963 • 192 citations

Microwave Spectrum of Formaldehyde II. Molecular Structure in the Ground State

1960 • 176 citations

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

1969 • 157 citations

Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron Properties

1972 • 145 citations

Combined SCF and CI Method for the Calculation of Electronically Excited States of Molecules: Potential Curves for the Low-Lying States of Formaldehyde

1970 • 136 citations

Ab initiocalculation of force constants and equilibrium geometries

1971 • 125 citations

Ab initio calculation of the force field of ethylene

1971 • 123 citations

Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in Methane

1972 • 123 citations

A model for stretch-bend interactions in molecular force fields

1963 • 120 citations

Centrifugal Distortion in Asymmetric Top Molecules. I. Ordinary Formaldehyde,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mn>12</mml:mn></mml:mrow></…

1951 • 116 citations

Method of Adjusting Force Constants and Its Application to H2O, H2CO, CH2Cl, and Their Deuterated Molecules

1965 • 111 citations

Zero-Point Vibrational Corrections to One-Electron Properties of the Water Molecule in the Near-Hartree—Fock Limit

1971 • 109 citations

Non-empirical LCAO-MO-SCF-CI calculations on organic molecules with Gaussian type functions

1966 • 108 citations

The infrared absorption spectrum of formaldehyde vapor

1957 • 83 citations

Accurate force constants from heavy isotopic substitution—I. 12CF4 and 13CF4

1966 • 83 citations

Force Constants and Dipole Moment Derivatives of Ammonia from Hartree-Fock Calculations

1972 • 77 citations

Microwave Spectrum of Formaldehyde III. Vibration-Rotation Interaction

1961 • 74 citations

Two Bands in the Infrared Spectrum of Formaldehyde

1937 • 66 citations

Infrared Intensities and Bond Moments in Formaldehyde

1955 • 64 citations

The Infrared and Raman Spectra of Formaldehyde-d1 Vapor

1954 • 55 citations

Recalculation of Formaldehyde Wavefunctions

1966 • 47 citations

On isotopic substitution and the choice between alternative sets of force constants; with special reference to the cases of ethylene, ketene, diazomethane and formaldehyde

1971 • 43 citations

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

1968 • 30 citations

Potential energy constants, rotational distortion constants, and calculated thermodynamic properties for some planar XYZ2 molecules

1961 • 25 citations

Calculation of the Barrier to Internal Rotation of Ethane

1966 • 23 citations

Frequenzverschiebungen durch 13C- und 18O-substitution beim formaldehyd und phosgen; verbesserte kraftkonstantenberechnung

1971 • 23 citations

The anharmonicity correction for polyatomic molecules

1964 • 14 citations

Kraftkonstanten von Formaldehyd

1965 • 10 citations

Ab initio computations on formaldehyde

1970 • 2 citations