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Observation and characterization of a specific vibrational circular dichroism band in phenyl glycosides

✍ Scribed by Tohru Taniguchi; Ikuko Tone; Kenji Monde


Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
502 KB
Volume
20
Category
Article
ISSN
0899-0042

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Vibrational circular dichroism of tetrap
✍ Petr BouΕ™; Kamil ZΓ‘ruba; Marie UrbanovΓ‘; VladimÍr Setnička; Pavel MatΔ›jka; ZdenΔ› πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 175 KB πŸ‘ 2 views

The Raman and absorption spectra of tetraphenylporphyrin (TPP) were calculated and compared to experiment. The computation was based on the harmonic molecular force field and electric tensors obtained ab initio at the BPW91/6-31G\* level. Good agreement was found between experimental and calculated