𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional theory calculations and vibrational spectra of p-bromonitrobenzene

✍ Scribed by V. Krishnakumar; N. Jayamani; R. Mathammal


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

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Analysis of vibrational spectra of 2-flu
✍ V. Krishnakumar; S. Dheivamalar πŸ“‚ Article πŸ“… 2009 πŸ› John Wiley and Sons 🌐 English βš– 192 KB πŸ‘ 1 views

## Abstract The conformational behavior and structural stability of 2‐fluoro‐6‐nitrotoluene (FNT) were investigated by utilizing density functional theory (DFT) with the standard B3LYP/6‐311 + G\*\* method and basis set combinations. The vibrational wavenumbers of FNT were computed at DFT levels an

Density functional theory calculations a
✍ V. Krishnakumar; R. Mathammal πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 275 KB

## Abstract The solid‐phase Fourier transform infrared (FT‐IR) and FT‐Raman spectra of 3,5 dichloro hydroxy benzaldehyde (DHB) and 2,4 dichloro benzaldehyde (DB) have been recorded in the regions 4000–400 and 4000–0 cm^βˆ’1^, respectively. Theoretical information on the optimized geometry, harmonic v