A b i n i t i o force constants for the HCN molecule: SCF and CI results
- 1 October 1975
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 63 (7) , 2874-2881
- https://doi.org/10.1063/1.431693
Abstract
No abstract availableKeywords
This publication has 19 references indexed in Scilit:
- Ab initio study of the X2Π and A2Σ+ states of OH. I. Potential curves and propertiesThe Journal of Chemical Physics, 1974
- Valence excited states of CH. I. Potential curvesThe Journal of Chemical Physics, 1973
- Force constants and frequencies for PH3The Journal of Chemical Physics, 1973
- Accurate ab initio calculation of the BeH molecule. I. The X 2Σ+ and A 2Π statesThe Journal of Chemical Physics, 1973
- Near Hartree-Fock Calculations on the Ground State of the Water Molecule: Energies, Ionization Potentials, Geometry, Force Constants, and One-Electron PropertiesThe Journal of Chemical Physics, 1972
- A new method for large-scale Cl calculationsChemical Physics Letters, 1972
- Calculated Potential-Energy Curves for CPhysical Review A, 1972
- Near Hartree—Fock Calculations of the Force Constants and Dipole Moment Derivatives in MethaneThe Journal of Chemical Physics, 1972
- Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force ConstantsThe Journal of Chemical Physics, 1970
- Polarization functions for first and second row atoms in Gaussian type MO-SCF calculationsTheoretical Chemistry Accounts, 1970