Morse Potential Parameters for O[Single Bond]O, N[Single Bond]N, and N[Single Bond]O Interactions
β Scribed by Konowalow, Daniel D. ;Hirschfelder, Joseph O.
- Book ID
- 120549015
- Publisher
- American Institute of Physics
- Year
- 1961
- Tongue
- English
- Weight
- 774 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0031-9171
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
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
A detailed conformational analysis was performed on simple substituted hydroxylamines using either ab initio (from HF/6-31G\* to RQCISD/6-311G\* \*) or popular semiempirical (MNDO, AM1, PM3) methods to ascertain the allowed conformations and to establish the influence of the level of theory on the r