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Multiprotonation of Benzene: A Theoretical Study

โœ Scribed by Sumathy, Raman; Kryachko, Eugene S.

Book ID
127190491
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
162 KB
Volume
106
Category
Article
ISSN
1089-5639

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๐Ÿ“œ SIMILAR VOLUMES

A theoretical study of internal conversi
A theoretical study of internal conversion in benzene
โœ S. Rashev ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 389 KB

The internal conversion (IC) process has been studied and nonradiative lifetimes of the vibrational levels 1 s) = 6' 1" (n = 0, 1, 2, 3) of Si benzene have been estimated. The analysis was based on a direct count algorithm, yielding the vibrational level density effectively involved in the IC proces

THEORETICAL STUDIES OF THE SUPRAMOLECULA
THEORETICAL STUDIES OF THE SUPRAMOLECULAR SYNTHON BENZENE ยท ยท ยท HEXAFLUOROBENZENE
โœ Anthony P. West Jr; Sandro Mecozzi; Dennis A. Dougherty ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 58 KB

The benzene โ€ข โ€ข โ€ข 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 ฯช 1 . Lower levels of theory perform poorly on this system. This is a fairly strong non-co