Calculation of Raman intensities by a CNDO method
- 31 August 1979
- journal article
- Published by Elsevier in Journal of Molecular Spectroscopy
- Vol. 77 (2) , 244-250
- https://doi.org/10.1016/0022-2852(79)90106-1
Abstract
No abstract availableThis publication has 16 references indexed in Scilit:
- Calculation of the mean polarizability derivatives of hydrocarbon moleculesJournal of Raman Spectroscopy, 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
- CNDO calculation of polarizabilities including polarization functions in the basis setInternational Journal of Quantum Chemistry, 1978
- Calculation of polarizabilities by the CNDO methodTheoretical Chemistry Accounts, 1977
- A variational method for calculating dynamic polarizabilitiesInternational Journal of Quantum Chemistry, 1977
- Theoretical Calculations of the Raman Intensities by the Vibronic MethodBulletin of the Chemical Society of Japan, 1975
- Berechnung angenäherter Intensitätswerte Raman-aktiver Molekülschwingungen mit Hilfe eines modifizierten CNDO/II-VerfahrensZeitschrift für Naturforschung A, 1974
- The calculation of electric polarizabilities of hydrocarbons with particular attention to the bond-additive propertyMolecular Physics, 1970
- Finite-perturbation SCF valence-shell calculations of molecular polarizability and hyperpolarizability componentsChemical Physics Letters, 1970
- On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and CrystalsThe Journal of Chemical Physics, 1950