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Computational and Spectral Investigation of 5,12-Dihydro-5,12-ethanonaphthacene-13-carbaldehyde

A conformational search of 5,12-dihydro-5,12-ethanonaphthacene-13-carbaldehyde predicted the presence of twelve conformations. The geometry of the twelve conformations established at the B3LYP/6-31G* level showed only six unique ones. Vibrational frequencies were calculated at the B3LYP/6-31G* level...

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Detalles Bibliográficos
Autores principales:	Karama, Usama, El-Azhary, Adel A., Almansour, Abdulrahman I., Al-Kahtani, Abdulla A., Al-Turki, Turki M., Jaafar, Mohammed H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2011
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6264613/ https://www.ncbi.nlm.nih.gov/pubmed/21829149 http://dx.doi.org/10.3390/molecules16086741

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