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Molecular characterization of an inherited ring (19) demonstrating ring opening

โœ Scribed by Speevak, Marsha D. ;Smart, Carolin ;Unwin, Lianne ;Bell, Morag ;Farrell, Sandra A.


Publisher
John Wiley and Sons
Year
2003
Tongue
English
Weight
126 KB
Volume
121A
Category
Article
ISSN
0148-7299

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Theoretical characterization of a multif
โœ Anders Broo ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 308 KB

Geometries of the spiro form SP and the merocyanine form MC of ลฝ . 1,3,3-trimethylspiro 2H-1-benzopyran-2,2ะˆ-indole and the 6ะˆ-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