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Investigation on UV and IR Spectra of C74(BN)2

โœ Scribed by Qi-Wen Teng; Shi Wu

Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
81 KB
Volume
24
Category
Article
ISSN
0256-7660

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Theoretical IR frequencies and intensities, and Raman scattering activities of hydrogenated, mono-and di-deuterated cyclopropenylidene C3H 2 are reported at increasing levels of theory (RHF, MP2, MP4) using a polarized triple split valence basis set plus diffuse functions (6-311 + + G(d, p)). This s

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