Simulation of XPS C1s spectra of organic monolayers by quantum chemical methods

Several simple methods are presented and evaluated to simulate the X-ray photoelectron spectra (XPS) of organic monolayers and polymeric layers by density functional theory (DFT) and second-order Møller-Plesset theory (MP2) in combination with a series of basis sets. The simulated carbon (C1s) XPS s...

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Publié dans:	Langmuir : the ACS journal of surfaces and colloids. - 1985. - 29(2013), 15 vom: 16. Apr., Seite 4782-8
Auteur principal:	Giesbers, Marcel (Auteur)
Autres auteurs:	Marcelis, Antonius T M, Zuilhof, Han
Format:	Article en ligne
Langue:	English
Publié:	2013
Accès à la collection:	Langmuir : the ACS journal of surfaces and colloids
Sujets:	Journal Article Research Support, Non-U.S. Gov't Alkanes Esters Ethers