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Comparison of the crystal and gas-phase structures of furan: An ab initio study

โœ Scribed by Floyd R. Cordell; James E. Boggs


Book ID
119116938
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
511 KB
Volume
164
Category
Article
ISSN
0166-1280

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The equilibrium structure of the major gas-phase tautomer of adenine is confirmed as being essentially planar, and it is shown that a reported second minimum is, in fact, one of a pair of transition structures for internal rotation of the amino group about the C-NH2 bond. Barrier heights for such ro