Endre søk
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf
Vibronic structure fingerprints in NEXAFS: a theoretical study of 2-mercaptobenzoxazole
KTH, Tidigare Institutioner                               , Bioteknologi.ORCID-id: 0000-0002-1763-9383
Vise andre og tillknytning
2000 (engelsk)Inngår i: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 327, nr 02-jan, s. 7-12Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

We use 2-mercaptobenzoxazole to study the notion of vibronic fine structure fingerprints in near-edge X-ray absorption fine structure (NEXAFS). It is shown that connected and non-connected carbons in the phenyl ring of the 2-mercaptobenzoxazole molecule give mutually similar excitation patterns and patterns similar to the one in free benzenewas while the 5-ring carbon is distinctly different in this respect. The simulated vibronic bands give an unambiguous assignment of the full NEXAFS spectrum at the carbon K-edge.

sted, utgiver, år, opplag, sider
2000. Vol. 327, nr 02-jan, s. 7-12
Emneord [en]
basis sets, spectroscopy, molecules
Identifikatorer
URN: urn:nbn:se:kth:diva-20006ISI: 000089056300002OAI: oai:DiVA.org:kth-20006DiVA, id: diva2:338699
Merknad
QC 20100525Tilgjengelig fra: 2010-08-10 Laget: 2010-08-10 Sist oppdatert: 2017-12-12bibliografisk kontrollert

Open Access i DiVA

Fulltekst mangler i DiVA

Personposter BETA

Ågren, Hans

Søk i DiVA

Av forfatter/redaktør
Ågren, Hans
Av organisasjonen
I samme tidsskrift
Chemical Physics Letters

Søk utenfor DiVA

GoogleGoogle Scholar

urn-nbn

Altmetric

urn-nbn
Totalt: 28 treff
RefereraExporteraLink to record
Permanent link

Direct link
Referera
Referensformat
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Annet format
Fler format
Språk
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Annet språk
Fler språk
Utmatningsformat
  • html
  • text
  • asciidoc
  • rtf