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Electric field simulation of substituents in donor-acceptor polyenes: a comparison with ab initio...
- Source :
-
Journal of the American Chemical Society . 08/23/2000, Vol. 122 Issue 33, p8007. 6p. 1 Diagram, 6 Charts, 5 Graphs. - Publication Year :
- 2000
-
Abstract
- Describes the treatment of dipole moments (mu), polarizabilities (alpha) and hyperpolarizabilities (beta, gamma) in push-pull systems using electric field simulation. Comparison with ab initio predictions for dipole moments, polarizabilities and hyperpolarizabilities; Electric field simulation of substituents in donor-acceptor polyenes.
- Subjects :
- *POLYENES
*DIPOLE moments
*MEASUREMENT
Subjects
Details
- Language :
- English
- ISSN :
- 00027863
- Volume :
- 122
- Issue :
- 33
- Database :
- Academic Search Index
- Journal :
- Journal of the American Chemical Society
- Publication Type :
- Academic Journal
- Accession number :
- 3558105
- Full Text :
- https://doi.org/10.1021/ja993226e