The C[Single Bond]H Bond Energy in Toluene and Xylenes
β Scribed by Szwarc, M.
- Book ID
- 115531784
- Publisher
- American Institute of Physics
- Year
- 1948
- Tongue
- English
- Weight
- 787 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
In order to compare with recent accurate measurements, the carbon-hydrogen bond energy in formaldehyde has been calculated. Both electron correlation and extensively polarized basis sets are required to obtain satisfactory results. The most extensive computation predicts a CH bond energy of 85.4 kca
Monte Carlo simulations of liquid formamide, N-methylformamide Ε½ . Ε½ . MF , and N, N-dimethylformamide DMF have been performed in the isothermal and isobaric ensemble at 298 K and 1 atm, aiming to investigate the C-H ΠΈΠΈΠΈ O and N-H ΠΈΠΈΠΈ O hydrogen bonds. The interaction energy was calculated using th