On the strength of the C-H...O hydrogen bond and the eclipsed arrangement of the methyl group in a tricyclic orthoamide trihydrate
- Author
- NOVOA, J. J; CONSTANS, P; MYUNG-HWAN WHANGBO
Univ. Barcelona, dep. quimica fisica, 08028 Barcelona, Spain - Source
Angewandte Chemie. International edition in English. 1993, Vol 32, Num 4, pp 588-589 ; ref : 14 ref
- CODEN
- ACIEAY
- ISSN
- 0570-0833
- Scientific domain
- Chemistry; Crystallography; Atomic molecular physics
- Publisher
- VCH, Weinheim
- Publication country
- Germany
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul SCF Calcul ab initio Calcul orbitale moléculaire Composé organique Composé tricyclique Corrélation électronique Energie liaison Etude théorique Hydrate Hétérocycle azote Liaison hydrogène Orthoamide Rotation génée Structure moléculaire
- Keyword (en)
- SCF calculations Ab initio calculations Molecular orbital calculations Organic compounds Tricyclic compound Electron correlation Binding energy Theoretical study Hydrates Nitrogen heterocycle Hydrogen bonds Orthoamide Hindered rotation Molecular structure
- Keyword (es)
- Compuesto tricíclico Heterociclo nitrógeno Ortoamida
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A70 Effects of atomic and molecular interactions on electronic structure / 001B30A70D Environmental and solvent effects
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 3788953
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1002/anie.199305881 
https://dx.doi.org/10.1002/anie.199305881
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