Finite hydrocarbon chains incorporating cumulenic structures: prediction by ab initio calculations of their equilibrium geometry and electric polarizability
- 1 June 1987
- journal article
- Published by Optica Publishing Group in Journal of the Optical Society of America B
- Vol. 4 (6) , 1047-1054
- https://doi.org/10.1364/josab.4.001047
Abstract
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This publication has 11 references indexed in Scilit:
- Structure Determinations of Pentatetraenes—Comparison of the Structures of CumulenesAngewandte Chemie International Edition in English, 1986
- Prediction of longitudinal electric polarizabilities of conjugated chain molecules by scaling of abinitio calculationsCanadian Journal of Chemistry, 1985
- A unified structural approach to linear carbon polytypesNature, 1983
- Optimization of equilibrium geometries and transition structuresJournal of Computational Chemistry, 1982
- Palladium(O)-promoted synthesis of functionally substituted allenes by means of organozinc compoundsTetrahedron Letters, 1981
- Ab initio calculation of the dipole polarizabilities of unsaturated hydrocarbonsChemical Physics Letters, 1980
- Ab initio studies on polymers. I. The linear infinite polyyneJournal of Physics C: Solid State Physics, 1979
- Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic OrbitalsThe Journal of Chemical Physics, 1969
- Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed-Shell SystemsThe Journal of Chemical Physics, 1965
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951