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Structures and stabilities of gas-phase C2H3O+ ions: an ab initio molecular orbital study

โœ Scribed by Nobes, Ross H.; Bouma, Willem J.; Radom, Leo


Book ID
126891284
Publisher
American Chemical Society
Year
1983
Tongue
English
Weight
598 KB
Volume
105
Category
Article
ISSN
0002-7863

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The ground-state potential energy surface of C6H63-+ was explored by ab initio molecular orbital calculations using the split valence 3-21G basis set. Various isomers were located as minima, the most stable corresponding to the fulvene tricat-.... 0 -1 3+ โ€ข โ€ข ion (1). The heat of formation of 1 Is e