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Absorption and electrochemical properties of ruthenium(II) dyes, studied by semiempirical quantum chemical calculations
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Physical Chemistry.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Quantum Chemistry.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Physics, Department of Physics.
1998 (English)In: JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, ISSN 1010-6030, Vol. 114, no 2, 117-124 p.Article in journal (Other academic) Published
Abstract [en]

The electronic properties of Ru-polypyridine dyes were investigated by means of semiempirical calculations. Intermediate neglect of differential overlap (INDO)/S including configuration interaction (CI) was used to calculate electronic density of state (D

Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA , 1998. Vol. 114, no 2, 117-124 p.
Keyword [en]
semiempirical quantum chemical calculations; ruthenium; Ru-polypyridine complex; INDO; DIFFERENTIAL-OVERLAP TECHNIQUE; CHARGE-TRANSFER SENSITIZERS; TRANSITION-METAL COMPLEXES; INTERLIGAND STERIC STRAIN; TRIS CHELATE COMPLEXES; INTERMEDIATE NEGLECT; PHOTOS
Identifiers
URN: urn:nbn:se:uu:diva-40797OAI: oai:DiVA.org:uu-40797DiVA: diva2:68698
Note
Siegbahn H, Univ Uppsala, Dept Phys, Box 530, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Phys Chem, S-75121 Uppsala, Sweden. Univ Uppsala, Dept Quantum Chem, S-75121 Uppsala, Sweden.Available from: 2008-10-17 Created: 2008-10-17

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