Title of article
Characterization of aza-fullerene C58N2 isomers by X-ray spectroscopy
Author/Authors
Kashtanov، نويسنده , , Stepan and Rubio-Pons، نويسنده , , Oscar and Luo، نويسنده , , Yi and إgren، نويسنده , , Hans and Stafstrِm، نويسنده , , Sven and Csillag، نويسنده , , Stefan، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2003
Pages
7
From page
98
To page
104
Abstract
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.
Journal title
Chemical Physics Letters
Serial Year
2003
Journal title
Chemical Physics Letters
Record number
1783500
Link To Document