Ab initio CI calculation of spectroscopic constants of the ground and electronically excited states of CN-
- 10 June 1980
- journal article
- Published by Taylor & Francis in Molecular Physics
- Vol. 40 (2), 445-454
- https://doi.org/10.1080/00268978000101601
Abstract
No abstract availableThis publication has 20 references indexed in Scilit:
- Exciton Structure of CrystallineCPhysical Review Letters, 1978
- 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 HNCChemical Physics, 1978
- Hartree–Fock electron affinity of the CN radicalThe Journal of Chemical Physics, 1977
- Theoretical studies of molecular ions. Ionization potentials of CN− and BO−The Journal of Chemical Physics, 1976
- Ultraviolet absorption and emission of CN− centres in alkali halidesPhysica Status Solidi (b), 1975
- A Hartree-Fock SCF calculation of the activation energies for two SN2 reactionsChemical Physics Letters, 1971
- An LCAO-MO-SCF calculation on the cyanide ion (CN−) with a double-zeta basis set of Slater functionsJournal of Molecular Structure, 1970
- Electronic structure of the cyanide anionJ. Chem. Soc. A, 1970
- Study of Electronic Structure of Molecules. IX. Remarks on the Cyano GroupThe Journal of Chemical Physics, 1969
- SCF Minimal Basis Set Calculations and Exclusive Orbitals for CN−, HCN, N3−, HN3, NCO−, and HNCOThe Journal of Chemical Physics, 1968