Document Server@UHasselt >
Research publications >
Please use this identifier to cite or link to this item:
|Title: ||Outer-Valence Green's Function Study of Cycloalkane and Cycloalkyl-Alkane Compounds|
|Authors: ||DELEUZE, Michael|
|Issue Date: ||2001|
|Citation: ||JOURNAL OF PHYSICAL CHEMISTRY A, 105(27). p. 6695-6702|
|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).|
|ISI #: ||000169823500013|
|Type: ||Journal Contribution|
|Validation: ||ecoom, 2002|
|Appears in Collections: ||Research publications|
Files in This Item:
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.