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Theoretical study of the isomerization of hypothetical tetraborane(4)

โœ Scribed by McKee, Michael L.; Lipscomb, William N.


Book ID
126240499
Publisher
American Chemical Society
Year
1981
Tongue
English
Weight
475 KB
Volume
20
Category
Article
ISSN
0020-1669

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Theoretical study of the isomerization o
โœ K.K. Sunil; J.H. Yates; K.D. Jordan ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 511 KB

Hartree-Fock and many-body perturbation theoretical calculations are used to determine the geometries and energies of NCCN (l), CNCN (2), and CNNC (3) as well as the transition state structures for interconversion among these three isomeric species. It is found that there is a reaction path with a r