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Theoretical study of the solvatochromic properties of rhodamines using the AM1 and PM3/COSMO solvation model
- Source :
- J. Chem. Soc., Perkin Trans. 2. :1397-1398
- Publication Year :
- 1994
- Publisher :
- Royal Society of Chemistry (RSC), 1994.
-
Abstract
- AM1 and PM3 SCF-MO/COSMO solvation modelling of the solvatochromic properties of the rhodamine-based colour forming dyes reproduces the known relative stabilities of these molecules and demonstrates how theoretically constructed linear-free-energy relationships could be used in the rational design of new systems.
Details
- ISSN :
- 13645471 and 03009580
- Database :
- OpenAIRE
- Journal :
- J. Chem. Soc., Perkin Trans. 2
- Accession number :
- edsair.doi...........2d5272313b27b31456a4827480bf429a