A b i n i t i o calculation of infrared intensities for the linear isoelectronic series HCN, HNC, CO, HCO+, and HOC+

The influence of polarization functions on molecular orbital hydrogenation energies

1973 • 14,592 citations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules

1971 • 9,621 citations

Infrared and Raman Spectra of Polyatomic Molecules.

1946 • 3,247 citations

Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems

1966 • 1,906 citations

The Formation and Depletion of Molecules in Dense Interstellar Clouds

1973 • 1,009 citations

A model for gas phase chemistry in interstellar clouds. I - The basic model, library of chemical reactions, and chemistry among C, N, and O compounds

1980 • 392 citations

Dipole moment derivatives and infrared intensities. I. Polar tensors

1974 • 390 citations

Electronic Structure of CO and BF

1965 • 315 citations

Electric dipole moment of carbon monoxide

1975 • 290 citations

Laboratory Microwave Spectrum of HC<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

1975 • 239 citations

Unidentified Interstellar Microwave Line

1970 • 225 citations

H3 +: A b i n i t i o calculation of the vibration spectrum

1976 • 215 citations

Matrix Isolation Spectroscopy

1981 • 205 citations

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

1979 • 199 citations

Dipole moment derivatives and infrared intensities. II. Polar tensors in methyl halide molecules

1976 • 160 citations

Infrared Intensity Sum Rule and Effective Charges

1972 • 159 citations

An effective atomic charge model for infrared intensities

1975 • 144 citations

The Measurement of Bond Moments and Derivatives in HCN and DCN from Infrared Intensities

1952 • 134 citations

Finite-field method calculations. IV. Higher-order moments, dipole moment gradients, polarisability gradients and field-induced shifts in molecular properties: Application to N2, CO, CN−, HCN and HNC

1978 • 128 citations

Infrared intensities, polar tensors, and atomic population densities in molecules

1976 • 120 citations

General Quartic Force Field of HCN

1966 • 110 citations

Integrated intensities in hydrogen cyanide

1979 • 95 citations

A model for gas phase chemistry in interstellar clouds. II - Nonequilibrium effects and effects of temperature and activation energies

1980 • 93 citations

HOC+: An observable interstellar species? A comparison with the isomeric and isoelectronic HCO+, HCN and HNC

1981 • 85 citations

On the anharmonic force field and equilibrium structure of HNC

1978 • 73 citations

Linewidths and transition probabilities for the carbon monoxide laser lines

1973 • 60 citations

MCSCF calculation of the dipole moment function of CO

1981 • 60 citations

The molecular structure of HCO+ by the microwave substitution method

1981 • 60 citations

Effective charge tensors of atoms in a molecule and electric dipole shielding of nuclei

1973 • 60 citations

Calculated Dipole-Moment Functions and the Infrared Intensities of HCN and N2O

1970 • 50 citations

Interstellar COH+

1976 • 45 citations

Theoretical dipole derivatives for HCN and DCN

1981 • 39 citations

Theoretical dipole moment derivatives and force constants for HCN

1978 • 38 citations

The calculation of the electric dipole moment of CO

2009 • 37 citations

Ab initio calculations of vibrational properties of some linear triatomic molecules. 1. Intensities

1981 • 35 citations

The Raman spectrum of the ordered phase of NH4Cl and ND4Cl: Dipole and polarizability derivatives

1977 • 29 citations

Relationships in infrared intensity theories, in particular the Mayants-Averbukh theory

1981 • 28 citations

A 10µm Laser Heterodyne Spectrometer for Remote Detection of Trace Gases

1978 • 20 citations

Charge and charge flux in vibrating tetrahedral molecules

1980 • 19 citations

The charge-charge flux-overlap model for the interpretation of atomic polar tensors and infrared intensities

1982 • 19 citations

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

1976 • 15 citations

On the relative signs of the CH and CN dipole moment derivatives of HCN

1978 • 13 citations

On the sign anomaly in the experimental and theoretical dipole moment derivative of HCN

1978 • 13 citations

A b i n i t i o calculation of infrared intensities for hydrogen peroxide

1982 • 13 citations

Absolute i.r. intensities, dipole derivatives and vibrational charge parameters in the perchlorate anion

1980 • 12 citations

Absolute infrared intensities of ClO−3 and SCN−

1978 • 7 citations