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Effect of deuteration on the infrared spectra of crystalline metal formates

✍ Scribed by G. Fabbri; P. Baraldi


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
172 KB
Volume
34
Category
Article
ISSN
0022-2860

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Deuteration effects on the IR spectra of
✍ D. Talbi; F. Pauzat πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 379 KB

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