The amount of the ring puckering in methyl-substituted 9,10- dihydroanthracene was theoretically determined through DFT calculations. Theoretical calculations allowed to obtain the geometrical structures and energetic data on the different considered isomers.
LA MANNA G, M CNATOLI, G FONTANA (2005). Conformational analysis of methyl-substituted 9,10-dihydroanthracenes. JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM, 719, 41-45 [10.1016/j.theochem.2004.11.044].
Conformational analysis of methyl-substituted 9,10-dihydroanthracenes
LA MANNA, Gianfranco;NATOLI, Maria Concetta;FONTANA, Gianfranco
2005-01-01
Abstract
The amount of the ring puckering in methyl-substituted 9,10- dihydroanthracene was theoretically determined through DFT calculations. Theoretical calculations allowed to obtain the geometrical structures and energetic data on the different considered isomers.
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