SCHEDULED MAINTENANCE
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.
H. S. Rzepa and G. A. Suñer, J. Chem. Soc., Perkin Trans. 2, 1994, 1397 DOI: 10.1039/P29940001397
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