Computational study on the characteristics of the interaction in naphthalene...(H2X)n=1,2 (X = O,S) clusters

The characteristics of the interaction between the pi cloud of naphthalene and up to two H2O or H2S molecules were studied. Calculations show that clusters formed by naphthalene and one H2O or H2S molecule have similar geometric features, and also present similar interaction energies. Our best estim...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Vol. 112, No. 28 (2008), p. 6344-50
Main Author: Cabaleiro-Lago, Enrique M
Other Involved Persons: Rodríguez-Otero, Jesús ; Peña-Gallego, Angeles
Format: electronic Article
Item Description:Date Completed 28.08.2008
Date Revised 21.11.2013
published: Print-Electronic
Citation Status MEDLINE
Copyright: From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Physical Description:Online-Ressource
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