uu.seUppsala University Publications
Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
N-2 and HF vibrations on LiF(001): the effect of surface coverage
Uppsala University.
Uppsala University.
1998 (English)In: SURFACE SCIENCE, ISSN 0039-6028, Vol. 411, no 1-2, 23-34 p.Article in journal (Other scientific) Published
Abstract [en]

Adsorption energies and stretching vibrational frequency shifts for N-2 and HF molecules adsorbed on a LiF(001) surface have been obtained from periodic Hartree-Fock calculations. Surface coverages between 6 and 100% investigated. A one-layer and a three-

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 1998. Vol. 411, no 1-2, 23-34 p.
Keyword [en]
ab initio quantum chemical methods and calculations; hydrogen fluoride; lithium fluoride; low index single crystal surfaces; nitrogen; physical adsorption; vibrations of adsorbed molecules; CO ADSORPTION THEOREON; PERIODIC HARTREE-FOCK; INFRARED-SPECTROSC
Identifiers
URN: urn:nbn:se:uu:diva-84681OAI: oai:DiVA.org:uu-84681DiVA: diva2:112589
Note
Addresses: Hermansson K, Univ Uppsala, Angstrom Lab, Box 538, S-75121 Uppsala, Sweden. Univ Uppsala, Angstrom Lab, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17 Last updated: 2011-01-14

Open Access in DiVA

No full text

By organisation
Uppsala University

Search outside of DiVA

GoogleGoogle Scholar

urn-nbn

Altmetric score

urn-nbn
Total: 490 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf