Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/2869
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dc.contributor.authorDELEUZE, Michael-
dc.contributor.authorDenis, JP-
dc.contributor.authorDelhalle, J-
dc.date.accessioned2007-11-20T10:30:06Z-
dc.date.available2007-11-20T10:30:06Z-
dc.date.issued2000-
dc.identifier.citationJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 501. p. 535-538-
dc.identifier.issn0166-1280-
dc.identifier.urihttp://hdl.handle.net/1942/2869-
dc.description.abstractThe striking 10 degrees difference observed between contact angles of water for surfaces exposing methyl and methylene groups is investigated at the molecular level by comparing the relative binding energies (RHF/6-31G) of the H2O/nonane bimolecular complex for different docking directions. Of the attempts considered, it is found that the water molecule binds preferentially to methylene moieties, while the methyl group is the least favourable site. (C) 2000 Elsevier Science B.V. All rights reserved.-
dc.language.isoen-
dc.publisherELSEVIER SCIENCE BV-
dc.subject.othersaturated hydrocarbons; supernatant water; molecular interactions; contact angles; wetting-
dc.titleOn the wetting of saturated hydrocarbon surfaces. An exploratory molecular investigation-
dc.typeJournal Contribution-
dc.identifier.epage538-
dc.identifier.spage535-
dc.identifier.volume501-
local.format.pages4-
local.bibliographicCitation.jcatA1-
dc.description.notesLimburgs Univ Ctr, Dept SBG, B-3590 Diepenbeek, Belgium. Fac Univ Notre Dame Paix, Lab Interdisciplinaire Spect Elect, B-5000 Namur, Belgium.Deleuze, M, Limburgs Univ Ctr, Dept SBG, Univ Campus, B-3590 Diepenbeek, Belgium.-
local.type.refereedRefereed-
local.type.specifiedArticle-
dc.bibliographicCitation.oldjcatA1-
dc.identifier.isi000087541100059-
item.fulltextNo Fulltext-
item.contributorDELEUZE, Michael-
item.contributorDenis, JP-
item.contributorDelhalle, J-
item.validationecoom 2001-
item.accessRightsClosed Access-
item.fullcitationDELEUZE, Michael; Denis, JP & Delhalle, J (2000) On the wetting of saturated hydrocarbon surfaces. An exploratory molecular investigation. In: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 501. p. 535-538.-
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