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Comparative study of structure and photo-induced reactivity of malonaldehyde and acetylacetone isolated in nitrogen matrices

Comparative study of structure and photo-induced reactivity of malonaldehyde and acetylacetone isolated in nitrogen matrices

Structure and reactivity of the eight enolic forms (one chelated and seven non-chelated) of malonaldehyde and acetylacetone are compared through theoretical and experimental data. Ground-state geometries, energies, and vibrational frequencies are calculated with the B3LYP/6–311++G(2d,2p) model ch...

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Bibliographic Details
Main Authors: Trivella, A., Coussan, S., Chiavassa, T., Theule, P., Manca, C., Roubin, P.
Format: Article
Language:English
Published: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2006
Series:Физика низких температур
Subjects:
Molecular Solids
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/120884
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http://dspace.nbuv.gov.ua/handle/123456789/120884

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