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A theoretical study of the structure and properties of carbon trioxide

✍ Scribed by J.R. Sabin; H. Kim

Publisher
Elsevier Science
Year
1971
Tongue
English
Weight
500 KB
Volume
11
Category
Article
ISSN
0009-2614

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✦ Synopsis

An nb initio LCCO Al0 SCI? olcuhtion with a full geometry srarch is urried out on CC)>. The structure is dctermined to have Czv symmetry with C-O hot??. bngths of 1.265 .A and 1 A73 A and a bond angk of 66.X". The unique oxygen atom is apparently of the cubouyl type and there is a weak bond between the symmcrry cquivaknt oxygrns. The electronic and geometrical properties, di-golr moment derivatives and valence force fickl cznstxnts of CO 3 xc discussed,

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