Analysis of vibrational spectra of 2-flu
β
V. Krishnakumar; S. Dheivamalar
π
Article
π
2009
π
John Wiley and Sons
π
English
β 192 KB
π 1 views
## Abstract The conformational behavior and structural stability of 2βfluoroβ6βnitrotoluene (FNT) were investigated by utilizing density functional theory (DFT) with the standard B3LYP/6β311 + G\*\* method and basis set combinations. The vibrational wavenumbers of FNT were computed at DFT levels an