An efficient a b i n i t i o method for computing infrared and Raman intensities: Application to ethylene

Gaussian Basis Functions for Use in Molecular Calculations. I. Contraction of (9s5p) Atomic Basis Sets for the First-Row Atoms

1970 • 4,990 citations

Methods of Electronic Structure Theory

1977 • 2,725 citations

Molecular Spectroscopy: Modern Research

1985 • 1,751 citations

The polarization of laser light scattered by gases

1966 • 741 citations

Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed-Shell Systems

1965 • 740 citations

PNO-CI and PNO-CEPA studies of electron correlation effects

1976 • 635 citations

Self-Consistent Perturbation Theory. I. Finite Perturbation Methods

1968 • 442 citations

Efficient determination and characterization of transition states using ab-initio methods

1977 • 252 citations

Infrared crystal spectra of C2H4, C2D4, and as-C2H2D2 and the general harmonic force field of ethylene

1973 • 234 citations

Vibrational Intensities. VI. Ethylene and Its Deuteroisotopes

1956 • 125 citations

Comparison of theab initioforce constants of ethane, ethylene and acetylene

1974 • 119 citations

Raman spectra of asymmetric top molecules. Part 1.—The pure rotational spectrum of ethylene

1975 • 92 citations

Application of self-consistent-field ab initio calculations to organic molecules

1977 • 69 citations

Application of self-consistent-field ab initio calculations to organic molecules

1977 • 50 citations

Comparison of ab initio, CNDO/2 and experimental dipole moment derivatives for C2 hydrocarbons and formaldehyde

1975 • 42 citations

Absolute infrared intensities of hydrocarbons

1970 • 23 citations

Electronic states of organic molecules. 2. Vibrational intensities for ethylene

1976 • 15 citations

Dipole moment derivatives from MINDO/3 semi-empirical MO calculations

1977 • 8 citations

Theoretical Calculations of the Raman Intensities by the Vibronic Method. II. The In-plane Vibrations of Ethylene

1976 • 6 citations