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Isomers of cyclo-Heptasulfur and Their Coordination to Li+: an Ab Initio Molecular Orbital Study

โœ Scribed by Wong, Ming Wah; Steudel, Yana; Steudel, Ralf


Book ID
111864199
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
196 KB
Volume
44
Category
Article
ISSN
0020-1669

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Structures and stabilities of C6H3โจฅ6 iso
โœ Wolfram Koch; Helmut Schwarz ๐Ÿ“‚ Article ๐Ÿ“… 1985 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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+ โ€ข โ€ข ion (1). The heat of formation of 1 Is e