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Ab initio studies of molecular structures and energetics. 4. Hexacoordinated NF6- and CF62- anions

✍ Scribed by Ewig, Carl S.; Van Wazer, John R.


Book ID
127359248
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
921 KB
Volume
112
Category
Article
ISSN
0002-7863

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Structures and stabilities of C6H3β¨₯6 iso
✍ Wolfram Koch; Helmut Schwarz πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 279 KB

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+ β€’ β€’ ion (1). The heat of formation of 1 Is e