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.
|Number of pages||5|
|Journal||JOURNAL OF MOLECULAR STRUCTURE. THEOCHEM|
|Publication status||Published - 2005|
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Physical and Theoretical Chemistry