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ChemInform Abstract: Density Functional Calculations on WH6 and WF6.

✍ Scribed by N. TANPIPAT; J. BAKER

Publisher
John Wiley and Sons
Year
2010
Weight
24 KB
Volume
28
Category
Article
ISSN
0931-7597

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## 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