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A further study of ...
A further study of the products of scandium and dioxygen reactions
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Bauschlicher, C.W. (author)
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Zhou, M.F. (author)
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Andrews, L. (author)
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Johnson, J.R.T (author)
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- Panas, Itai, 1959 (author)
- Chalmers tekniska högskola,Chalmers University of Technology
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Snis, Anders (author)
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Roos, B.O. (author)
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(creator_code:org_t)
- 1999
- 1999
- English.
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In: Journal of Physical Chemistry A. - 1089-5639 .- 1520-5215. ; 103:28, s. 5463-5467
- Related links:
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Abstract
Subject headings
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- The products of the reaction of Sc and dioxygen have been reinvestigated. By adding the electron-trapping molecule CCl4 additional information about the IR spectra has been obtained, as well as the observation of new bands. New ab initio calculations are also performed on possible products of the Sc plus O-2 reaction. The previously observed band at 722.5 cm(-1) is assigned as the b(2) mode of ScO2-. Bands arising from ScO+, Sc(O-2)(+), and(O-2)ScO are also assigned. We are still unable to assign any bands to OScO. The problems associated with the computational study of ScO2 are discussed.
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
- NATURVETENSKAP -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publication and Content Type
- art (subject category)
- ref (subject category)
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