Study of the interaction in clusters formed by phenol and CH3X (X=CN,F,Cl) molecules

The characteristics of the interaction between phenol and acetonitrile, methyl fluoride and methyl chloride were studied. The most stable structures for clusters containing one or two CH3X molecules and one phenol moiety were located by means of ab initio and density functional theory calculations....

Ausführliche Beschreibung

Bibliographische Detailangaben
Veröffentlicht in:The Journal of chemical physics, Vol. 128, No. 19 (2008), p. 194311
1. Verfasser: Cabaleiro-Lago, Enrique M
Weitere beteiligte Personen: Peña-Gallego, Angeles ; Rodríguez-Otero, Jesús
Format: elektronischer Aufsatz
Sprache:English
ISSN:1089-7690
Anmerkung:Date Completed 28.07.2008
Date Revised 24.11.2016
published: Print
Citation Status MEDLINE
Copyright: From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Umfang:Online-Ressource
DOI:10.1063/1.2919128
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