Density functional theory with the combined Becke's three-parameter exchange functional in combination with the Lee, Yang, and Parr correlation functional (B3LYP) exchange-correlation energy functions using the 6-31G \* basis set was applied to study the structures and vibrational infrared (IR) spec
β¦ LIBER β¦
Ab initio and density functional force field studies on the IR spectra and structure of diazonium dicyanomethylide (diazodicyanomethane)
β Scribed by Miglena K. Georgieva
- Publisher
- Elsevier Science
- Year
- 2004
- Tongue
- English
- Weight
- 174 KB
- Volume
- 691
- Category
- Article
- ISSN
- 0022-2860
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