Theoretical dipole derivatives for HCN and DCN

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

1970 • 4,990 citations

Infrared and Raman Spectra of Polyatomic Molecules.

1946 • 3,247 citations

Applicability of the multi-reference double-excitation CI (MRD-CI) method to the calculation of electronic wavefunctions and comparison with related techniques

1978 • 1,007 citations

Energy extrapolation in CI calculations

1975 • 1,001 citations

Individualized configuration selection in CI calculations with subsequent energy extrapolation

1974 • 831 citations

Study of the electronic structure of molecules. XXI. Correlation energy corrections as a functional of the Hartree-Fock density and its application to the hydrides of the second row atoms

1974 • 436 citations

The anharmonic force field and equilibrium structure of HCN and HCP

1973 • 180 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

General Quartic Force Field of HCN

1966 • 110 citations

Integrated intensities in hydrogen cyanide

1979 • 95 citations

Experimental determination of the dipole moments of the X(²Σ⁺) and B(²Σ⁺) states of the CN molecule

1968 • 95 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

Identification of interstellar X-ogen as HCO/+/

1976 • 82 citations

Experimental Determination of the Electric Dipole Moment of the Ground Electronic State of CH

1966 • 82 citations

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

1975 • 67 citations

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

1970 • 50 citations

Valence excited states of CH. II. Properties

1973 • 48 citations

Abinitio calculation of the vibrational structure in the electronic spectra of HCN and DCN between 1700 and 2000 Å

1977 • 38 citations

Theoretical dipole moment derivatives and force constants for HCN

1978 • 38 citations

Study of the theoretical dipole moment function and infrared transition matrix for the X 1Σ+ state of the HF molecule

1974 • 38 citations

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

1978 • 28 citations

The Intensities of Several of the Infra-Red Absorption Bands of Cyanogen and Cyanogen Chloride

1950 • 26 citations

Self-Broadening in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mn>14</mml:mn></mml:mrow><mml:mrow><mml:mi>μ</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>Band of HCN

1946 • 19 citations

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

1979 • 18 citations

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

1978 • 13 citations

Some characteristics of the intravalence triplet–triplet electronic transition in HCN

1980 • 10 citations