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A theoretical study of the second band of the photoelectron spectrum of benzene with an analysis of the vibrational structure

โœ Scribed by Kouichi Takeshita


Publisher
Springer
Year
1999
Tongue
English
Weight
120 KB
Volume
103
Category
Article
ISSN
1432-2234

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An ab initio calculation of the vibratio
โœ Matthias Horn; Peter Botschwina ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 685 KB

Making use of the coupled electron pair approximation (CEPA-1 ), two-dimensional potential energy functions have been calculated for the electronic ground states of CC& and Ccl:. Therefrom, vibrational term energies and wavefunctions were obtained variationally and were used to compute the rather co