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Resonance assisted hydrogen bonds in open-chain and cyclic structures of malonaldehyde enol: A theoretical study.
- Source :
-
Journal of Molecular Structure . Sep2013, Vol. 1048, p138-151. 14p. - Publication Year :
- 2013
-
Abstract
- Highlights: [•] Open-chain and cyclic structures of malonaldehyde enol were compared. [•] Catemers up to 9 monomers have been calculated. [•] Bader QTAIM analysis was used to understand the structures. [•] NMR properties, 1H chemical shifts and 2h J OO coupling constants, were analyzed. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00222860
- Volume :
- 1048
- Database :
- Academic Search Index
- Journal :
- Journal of Molecular Structure
- Publication Type :
- Academic Journal
- Accession number :
- 89511226
- Full Text :
- https://doi.org/10.1016/j.molstruc.2013.04.069