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The Cyanide Industry Theoretically and Practically Considered

โœ Scribed by ROSE, T. K.


Book ID
109444488
Publisher
Nature Publishing Group
Year
1906
Tongue
English
Weight
108 KB
Volume
74
Category
Article
ISSN
0028-0836

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A comparative theoretical study of trifl
โœ J.B. Moffat ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 487 KB

Ab initio (STO-3G) geometry-optimized calctdations have been performed on methyl and trifluoromethyl cyanide and isocyanide, and energies of isomerization of 24.1 and 11.5 kcal/mole, respectively have been calculated. Activation barriers of 87.8 and 80.0 kwl/mole are predicted for the isomerization