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http://hdl.handle.net/1942/892
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DC Field | Value | Language |
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dc.contributor.author | DELEUZE, Michael | - |
dc.contributor.author | Delhalle, J. | - |
dc.date.accessioned | 2006-01-19T09:44:28Z | - |
dc.date.available | 2006-01-19T09:44:28Z | - |
dc.date.issued | 2001 | - |
dc.identifier.citation | JOURNAL OF PHYSICAL CHEMISTRY A, 105(27). p. 6695-6702 | - |
dc.identifier.issn | 1089-5639 | - |
dc.identifier.uri | http://hdl.handle.net/1942/892 | - |
dc.description.abstract | In 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.iso | en | - |
dc.publisher | ACS | - |
dc.subject.other | RAY PHOTOELECTRON-SPECTRA; ELECTRONIC-STRUCTURE; THEORETICAL SEARCH; CONFORMATIONAL SIGNATURES; SATURATED-HYDROCARBONS; POLYETHYLENE LAMELLAE; MOLECULAR-ORIENTATION; FUNCTION SIMULATION; THIN-FILMS; BAND | - |
dc.title | Outer-Valence Green's Function Study of Cycloalkane and Cycloalkyl-Alkane Compounds | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 6702 | - |
dc.identifier.issue | 27 | - |
dc.identifier.spage | 6695 | - |
dc.identifier.volume | 105 | - |
local.bibliographicCitation.jcat | A1 | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.bibliographicCitation.oldjcat | A1 | - |
dc.identifier.doi | 10.1021/jp004406+ | - |
dc.identifier.isi | 000169823500013 | - |
item.fulltext | No Fulltext | - |
item.contributor | DELEUZE, Michael | - |
item.contributor | Delhalle, J. | - |
item.validation | ecoom 2002 | - |
item.accessRights | Closed Access | - |
item.fullcitation | DELEUZE, 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.issn | 1089-5639 | - |
crisitem.journal.eissn | 1520-5215 | - |
Appears in Collections: | Research publications |
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