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Some anomalies in the regularities of the SER spectra of benzene and hexafluorobenzene

✍ Scribed by A.M. Polubotko


Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
130 KB
Volume
239
Category
Article
ISSN
0169-4332

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πŸ“œ SIMILAR VOLUMES


THEORETICAL STUDIES OF THE SUPRAMOLECULA
✍ Anthony P. West Jr; Sandro Mecozzi; Dennis A. Dougherty πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 58 KB

The benzene β€’ β€’ β€’ hexafluorobenzene stacking interaction was evaluated at several levels of theory. At the MP2/6-31G\*\* level, it is estimated that the interaction is stabilizing by approximately 3.7 kcal mol Οͺ 1 . Lower levels of theory perform poorly on this system. This is a fairly strong non-co