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- Stashans, AUppsala universitet,Institutionen för kvantkemi (author)
Semiempirical calculations on WO3 and MxWO3 crystals (M=H, Li, Na)
- Article/chapterEnglish1997
Publisher, publication year, extent ...
- 1997
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:uu-41628
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-41628URI
Supplementary language notes
- Language:English
- Summary in:English
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Notes
- Stashans A, UNIV UPPSALA, DEPT QUANTUM CHEM, BOX 518, S-75120 UPPSALA, SWEDEN.
- The monoclinic structure of tungsten trioxide WO3 has been studied by combining a modified intermediate neglect of differential overlap (INDO) method and the supercell model. The fitted semiempirical parameters describe very well the features of the band
Subject headings and genre
- intercalation; WO3; impurities; optical properties; tungsten oxide; CORUNDUM CRYSTALS; THIN-FILMS; CENTERS; STATES; OXIDE; PHOTOELECTROLYSIS; PARAMETRIZATION; INSERTION; CLUSTERS; MODELS
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- Lunell, S (author)
- Uppsala universitetInstitutionen för kvantkemi (creator_code:org_t)
Related titles
- In:INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY63:3, s. 729-7350020-7608
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