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DFT simulations and Vibrational spectra of 4-chloro and 4-bromophenylboronic acid molecules

✍ Scribed by M. Kurt

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
146 KB
Volume
40
Category
Article
ISSN
0377-0486

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πŸ“œ SIMILAR VOLUMES

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Density functional theory calculations and vibrational spectra of 2-bromo-4-chloro phenol and 2-chloro-4-nitro phenol
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## Abstract FTIR and FT Raman spectra of 2‐bromo‐4‐chloro phenol (BCP) and 2‐chloro‐4‐nitro phenol (CNP) were recorded in the region 4000–400 and 4000–50 cm^βˆ’1^, respectively. The molecular structure, geometry optimization, and vibrational wavenumbers were investigated. The spectra were interpreted

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Infrared (IR) and Raman spectra of the superionic conductors Li 4 SiO 4 and Li 4 GeO 4 , including 6 Li-substituted compounds, have been studied. Results of the theoretical analysis of the spectra in conjunction with data on the electrostatic field calculations are presented. E z and E y components