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Characterization of aza-fullerene C58N2 isomers by X-ray spectroscopy
KTH, Superseded Departments, Biotechnology.
KTH, Superseded Departments, Biotechnology.
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0003-0007-0394
KTH, Superseded Departments, Biotechnology.ORCID iD: 0000-0002-1763-9383
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2003 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 371, no 02-jan, 98-104 p.Article in journal (Refereed) Published
Abstract [en]

X-ray photoelectron and near-edge X-ray absorption fine-structure spectra (NEXAFS) of four isomers of C58N2 are predicted by means of density-functional theory calculations. A strong isomer dependence for both types of spectra are found. The spectroscopic findings are discussed in conjunction with results from electronic and geometric structure optimizations.

Place, publisher, year, edition, pages
2003. Vol. 371, no 02-jan, 98-104 p.
Keyword [en]
carbon onions, films, (c59n)(2), xps
National Category
Theoretical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-22360DOI: 10.1016/s0009-2614(03)00176-3ISI: 000181788000016OAI: oai:DiVA.org:kth-22360DiVA: diva2:341058
Note
QC 20100525Available from: 2010-08-10 Created: 2010-08-10 Last updated: 2017-12-12Bibliographically approved
In thesis
1. Theoretical modeling of X-ray spectroscopy of liquids
Open this publication in new window or tab >>Theoretical modeling of X-ray spectroscopy of liquids
2005 (English)Doctoral thesis, comprehensive summary (Other scientific)
Place, publisher, year, edition, pages
Stockholm: KTH, 2005. viii, 47 p.
Keyword
Theoretical chemistry, Teoretisk kemi
National Category
Theoretical Chemistry
Identifiers
urn:nbn:se:kth:diva-187 (URN)91-7178-021-1 (ISBN)
Public defence
2005-05-13, FA32, AlbaNova, 13:00
Opponent
Supervisors
Note
QC 20101101Available from: 2005-05-10 Created: 2005-05-10 Last updated: 2011-11-23Bibliographically approved

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Luo, YiÅgren, Hans

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