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An AB Initio Molecular Orbital Study of Neutral Isomers of Silanaphthalenes, Silaanthracenes, and Silaphenanthrenes

โœ Scribed by Yavari, Issa; Nikpoor-Nezhati, Mahshid; Dehghan, Shoaleh


Book ID
126952166
Publisher
Taylor and Francis Group
Year
2003
Tongue
English
Weight
101 KB
Volume
178
Category
Article
ISSN
1042-6507

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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