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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/2869

Title: On the wetting of saturated hydrocarbon surfaces. An exploratory molecular investigation
Authors: DELEUZE, Michael
Denis, JP
Delhalle, J
Issue Date: 2000
Publisher: ELSEVIER SCIENCE BV
Citation: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 501. p. 535-538
Abstract: The 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.
Notes: Limburgs 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.
URI: http://hdl.handle.net/1942/2869
ISI #: 000087541100059
ISSN: 0166-1280
Category: A1
Type: Journal Contribution
Validation: ecoom, 2001
Appears in Collections: Research publications

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