Published 1991
| Version v1
Book
Solvated electron in molten alkali halides and their mixtures
Creators
- 1. Technical Univ., Lodz (Poland). Inst. of Applied Radiation Chemistry
Description
The maxima of the optical absorption spectra of the solvated electron in molten alkali halides and their mixtures are calculated by the coupled Molecular Dynamics and SCF-Xα-SW method. The quantum-chemical calculations are carried out for the most probable trapping structures obtained from the simulation. The ensemble-averaged values of the optical transition energies of the localized electrons correctly reproduce the experimental results. (author) 7 refs.; 2 figs.; 1 tab
Additional details
Additional titles
- Subtitle (English)
- Theoretical calculations by the coupled molecular dynamics and multiple scattering method
Publishing Information
- Publisher
- Hungarian Chemistry Society.
- Imprint Place
- Budapest (Hungary)
- ISBN
- 963 05 4643 4
- Imprint Title
- Proceedings of the 7. Tihany symposium on radiation chemistry
- Imprint Pagination
- 617 p.
- Journal Page Range
- p. 31-36.
Conference
- Title
- 7. Tihany symposium on radiation chemistry.
- Dates
- 9-14 Sep 1990.
- Place
- Balatonszeplak (Hungary).
INIS
- Country of Publication
- Hungary
- Country of Input or Organization
- Hungary
- INIS RN
- 24049158
- Subject category
- S38: RADIATION CHEMISTRY, RADIOCHEMISTRY AND NUCLEAR CHEMISTRY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ABSORPTION SPECTRA; DISTRIBUTION FUNCTIONS; LITHIUM BROMIDES; MIXTURES; MOLTEN SALTS; POTASSIUM BROMIDES; SOLVATED ELECTRONS; TRAPPING
- Descriptors DEC
- ALKALI METAL COMPOUNDS; BROMIDES; BROMINE COMPOUNDS; DISPERSIONS; ELECTRONS; ELEMENTARY PARTICLES; FERMIONS; HALIDES; HALOGEN COMPOUNDS; LEPTONS; LITHIUM COMPOUNDS; LITHIUM HALIDES; POTASSIUM COMPOUNDS; SALTS; SPECTRA