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Strained π-systems as hydrogen bond acceptors: the case of benzyne

Author
PRIETO, Pilar1 ; DE LA HOZ, Antonio1 ; ALKORTA, Ibon2 ; ROZAS, Isabel2 ; ELGUERO, Jose2
[1] Departamento de Química Orgánica, Universidad de Castilla-La Mancha, Inorgánica y Bioquímica, Facultad de Ciencias Químicas, 13071 Ciudad Real, Spain
[2] Instituto de Química Médica, Consejo Superior de Investigaciones Cientificas, Juan de la Cierva, 3, 28006 Madrid, Spain
Source

Chemical physics letters. 2001, Vol 350, Num 3-4, pp 325-330 ; ref : 27 ref

CODEN
CHPLBC
ISSN
0009-2614
Scientific domain
General chemistry, physical chemistry; Atomic molecular physics; Condensed state physics
Publisher
Elsevier Science, Amsterdam
Publication country
Netherlands
Document type
Article
Language
English
Keyword (fr)
Acétylène Angle liaison Composé minéral Composé organique Corrélation électronique Energie interaction Energie totale Etude théorique Hydrogène Fluorure Interaction intermoléculaire Longueur liaison Méthode fonctionnelle densité Partition Moller Plesset Structure géométrique Système 2 molécules Système électron pi Benzyne F H HF
Keyword (en)
Acetylene Bond angle Inorganic compounds Organic compounds Electron correlations Interaction energy Total energy Theoretical study Hydrogen Fluorides Intermolecular interaction Bond lengths Density functional method Moller Plesset partition Geometrical structure Two molecule system Pi electron system
Keyword (es)
Energía interacción Interacción intermolecular Partición Moller Plesset Estructura geométrica Sistema 2 moléculas Sistema electrón pi
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

Pacs
3170D Environmental and solvent effects

Discipline
Atomic and molecular physics
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
13393901

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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