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A theoretical study of C4H5N isomers: Comparison of cyano and isocyano as substituents

✍ Scribed by Min H. Lien; Alan C. Hopkinson


Book ID
104581438
Publisher
John Wiley and Sons
Year
1985
Tongue
English
Weight
449 KB
Volume
27
Category
Article
ISSN
0020-7608

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Structures and stabilities of C3H4O+Λ™ is
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Six stable isomers and two transition structures were characterized on the C3H,0+' potential energy surface using the G2 procedure. Heat capacity corrections were made to allow the direct calculation of heats of formation at 1298 K. The most stable isomer is the methylketene radical cation (1, AH, 2