Use this url to cite publication: https://hdl.handle.net/20.500.12259/95832
Density functional calculation of the photoelectron emission spectra of BiSCl crystal and molecular clusters
Type of publication
Straipsnis Web of Science duomenų bazėje / Article in Web of Science database (S1a)
Author(s)
Author | Affiliation | |
---|---|---|
LT | ||
LT | ||
LT | ||
LT | ||
LT |
Title [en]
Density functional calculation of the photoelectron emission spectra of BiSCl crystal and molecular clusters
Is part of
Journal of cluster science. , Vol. 21 (2010)
Date Issued
Date |
---|
2010 |
Is Referenced by
Extent
p. 577-589
Abstract (en)
The photoelectron emission spectra of BiSCl crystal and molecular clusters have been calculated by the Density Functional Theory (DFT) method. Molecular clusters consists from 2 to 20 molecules in one double chain along z(c) axis. Total and partial density of states of BiSCl crystal and clusters have been weighted with atomic photoemission emission cross-section. The molecular clusters have been investigated including all normal modes of vibration. Theoretical results of BiSCl crystal and molecular clusters have been compared with experimental X-ray photoelectron emission spectra (XPS) of BiSI crystal.
Type of document
type::text::journal::journal article::research article
Language
Anglų / English (en)
Coverage Spatial
Nyderlandai / Netherlands (NL)
ISSN (of the container)
1040-7278
WOS
WOS:000285203400001
Other Identifier(s)
VDU02-000056463
Journal | IF | AIF | AIF (min) | AIF (max) | Cat | AV | Year | Quartile |
---|---|---|---|---|---|---|---|---|
JOURNAL OF CLUSTER SCIENCE | 0.966 | 2.379 | 2.379 | 2.379 | 1 | 0.406 | 2010 | Q3 |
Journal | IF | AIF | AIF (min) | AIF (max) | Cat | AV | Year | Quartile |
---|---|---|---|---|---|---|---|---|
JOURNAL OF CLUSTER SCIENCE | 0.966 | 2.379 | 2.379 | 2.379 | 1 | 0.406 | 2010 | Q3 |