Theoretical dipole moment derivatives and force constants for HCN

Roothaan-Hartree-Fock atomic wavefunctions

1974 • 5,462 citations

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

1970 • 4,990 citations

MC-SCF. I. The multi-configuration self-consistent-field method

1973 • 330 citations

Computation of Molecular Properties and Structure

1968 • 232 citations

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

1952 • 134 citations

Molecular orbital calculation of some vibrational properties of the complex between HCN and HF

1973 • 113 citations

General Quartic Force Field of HCN

1966 • 110 citations

Theoretical study of molecular dipole moment functions. I. The X 1Σ+ state of CO

1977 • 101 citations

Observation of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>π</mml:mi></mml:math>Stark Components in Microwave Spectroscopy: Precision Measurements on HCN

1960 • 92 citations

A b i n i t i o force constants for the HCN molecule: SCF and CI results

1975 • 67 citations

Vibration-Rotation Spectra of HCN†

1960 • 66 citations

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

1970 • 50 citations

Experimental determination of relative signs of dipole moment derivatives: HCN and DCN

1978 • 28 citations

Internal vibrational modes and hydrogen bonding in mixed crystals of HCN and DCN

1973 • 22 citations

Infrared Intensities of Crystalline HCN and DCN

1972 • 19 citations

Infrared spectra and dielectric properties of crystalline hydrogen cyanide

1972 • 18 citations

Ab initio crystal orbital study of HCN linear chain

1976 • 12 citations