Ab initio study, including electron correlation, of the electronic structures, the dipole moments, the static polarizabilities and of the harmonic force fields of H2CO, H2CS and H2SiO
- 1 January 1979
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 54 (3) , 205-227
- https://doi.org/10.1007/bf00578340
Abstract
No abstract availableKeywords
This publication has 48 references indexed in Scilit:
- Nature of the semipolar XO bond. Comparative ab initio study of H3NO, H2NOH, H3PO, H2POH, H2P(O)F, H2SO, HSOH, HClO, ArO, and related moleculesJournal of the American Chemical Society, 1979
- Theoretical study of molecular dipole moment functions. I. The X 1Σ+ state of COThe Journal of Chemical Physics, 1977
- The calculation of ground and excited state molecular polarizabilities: A simple perturbation treatmentTheoretical Chemistry Accounts, 1977
- Experimental determination of average and equilibrium structures of polyatomic gas molecules by diffraction and spectroscopic methodsFaraday Discussions of the Chemical Society, 1977
- A b i n i t i o SCF and CI studies on the ground state of the water molecule. II. Potential energy and property surfacesThe Journal of Chemical Physics, 1976
- PNO–CI (pair-natural-orbital configuration interaction) and CEPA–PNO (coupled electron pair approximation with pair natural orbitals) calculations of molecular systems. IV. The molecules N2, F2, C2H2, C2H4, and C2H6The Journal of Chemical Physics, 1975
- Molecular properties of excited electronic states: The ã 3A″ and à 1A″ states of formaldehydeThe Journal of Chemical Physics, 1974
- Dimethylsilanone from the pyrolysis of octamethylcyclotetrasiloxaneJournal of the Chemical Society D: Chemical Communications, 1971
- Bond energies in the interpretation of descriptive chemistryJournal of Chemical Education, 1968
- Rotation-Vibration Spectra of Diatomic and Simple Polyatomic Molecules with Long Absorbing Paths. II. The Spectrum of Carbon Monoxide below 1.2μThe Journal of Chemical Physics, 1949