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Theoretical investigation of ozone hydrate formation conditions

โœ Scribed by O. S. Subbotin, T. P. Adamova, R. V. Belosludov, H. Mizuseki, Y. Kawazoe, V. R. Belosludov

Book ID
119882439
Publisher
SP MAIK Nauka/Interperiodica
Year
2012
Tongue
English
Weight
278 KB
Volume
53
Category
Article
ISSN
0022-4766

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Theoretical investigation of the cyclic
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โœ Shingkuo Shih; Robert J. Buenker; Sigrid D. Peyerimhoff ๐Ÿ“‚ Article ๐Ÿ“… 1974 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 868 KB

Ab initio SCF and CI calculations xc reported which find the cyclic conformer of czone to Iic 16 kczl/mole above the preferred (open-chain) form of this substance. Polarization functions ir! the A0 basis set are found to be quite important in this dctcrmination, strongly favorin g the cyclic species