Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/892
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dc.contributor.authorDELEUZE, Michael-
dc.contributor.authorDelhalle, J.-
dc.date.accessioned2006-01-19T09:44:28Z-
dc.date.available2006-01-19T09:44:28Z-
dc.date.issued2001-
dc.identifier.citationJOURNAL OF PHYSICAL CHEMISTRY A, 105(27). p. 6695-6702-
dc.identifier.issn1089-5639-
dc.identifier.urihttp://hdl.handle.net/1942/892-
dc.description.abstractIn this contribution, we report a quantitative analysis of gas-phase ultraviolet photoelectron spectra (HeI) of model compounds such as cyclopentane, cyclohexane, and cycloalkyl-1-alkane derivatives, by means of outer-valence Green's function (OVGF) calculations. These spectra and their OVGF theoretical simulations are also compared with UPS measurements on -cycloalkyl--alkanethiol monolayers adsorbed on gold. This theoretical study analyses the dependence of valence ionization spectra of saturated hydrocarbons on structural characteristics (configuration, conformation, and torsional flexibility).-
dc.language.isoen-
dc.publisherACS-
dc.subject.otherRAY PHOTOELECTRON-SPECTRA; ELECTRONIC-STRUCTURE; THEORETICAL SEARCH; CONFORMATIONAL SIGNATURES; SATURATED-HYDROCARBONS; POLYETHYLENE LAMELLAE; MOLECULAR-ORIENTATION; FUNCTION SIMULATION; THIN-FILMS; BAND-
dc.titleOuter-Valence Green's Function Study of Cycloalkane and Cycloalkyl-Alkane Compounds-
dc.typeJournal Contribution-
dc.identifier.epage6702-
dc.identifier.issue27-
dc.identifier.spage6695-
dc.identifier.volume105-
local.bibliographicCitation.jcatA1-
local.type.refereedRefereed-
local.type.specifiedArticle-
dc.bibliographicCitation.oldjcatA1-
dc.identifier.doi10.1021/jp004406+-
dc.identifier.isi000169823500013-
item.validationecoom 2002-
item.contributorDELEUZE, Michael-
item.contributorDelhalle, J.-
item.fulltextNo Fulltext-
item.accessRightsClosed Access-
item.fullcitationDELEUZE, Michael & Delhalle, J. (2001) Outer-Valence Green's Function Study of Cycloalkane and Cycloalkyl-Alkane Compounds. In: JOURNAL OF PHYSICAL CHEMISTRY A, 105(27). p. 6695-6702.-
crisitem.journal.issn1089-5639-
crisitem.journal.eissn1520-5215-
Appears in Collections:Research publications
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