Theoretical characterization of a multif
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Anders Broo
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Article
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2000
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John Wiley and Sons
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English
โ 308 KB
Geometries of the spiro form SP and the merocyanine form MC of ลฝ . 1,3,3-trimethylspiro 2H-1-benzopyran-2,2ะ-indole and the 6ะ-nitro-substituted analog were calculated at the AM1, HFr3-21G, and B3LYPr3-21G levels of theory. The geometry of the lowest excited state of both forms was calculated utiliz