## Calculations on the thermochemistry of reactions between NH,' ions and EtHgX molecules (X = C1, Br, I) were performed by the MNDO method. The calculations showed the p i b l e existence of two stable isomers of composition [ EtHgX, NH, 1 + namely [ EtHgX -.HNH, 1 + and [ EtHg(NH,)XH I +. Proton
Quantum Chemical Studies of Gas Phase Reactions between TMA, TMG, TMI and NH3
β Scribed by Tachibana, A. ;Makino, O. ;Tanimura, S. ;Tokunaga, H. ;Akutsu, N. ;Matsumoto, K.
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 188 KB
- Volume
- 176
- Category
- Article
- ISSN
- 0031-8965
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
indicate that ices containing formaldehyde (H 2 CO) and at least a trace of ammonia (NH 3 ) will undergo reactions as the samples are heated from 10 K with no additional irradiation. A residue composed of higher-boiling-point organic species persists to 190 K and beyond. Spectral changes indicate th
## Abstract The PE spectra of the 4,5βdihydroβ3__H__βpyrazoles 1, 2, of 2,5βdihydroβ1,3,4βoxadiazole 3, and 2,5βdihydroβ1,3,4βthiadiazole 4 have been recorded. Based on HAM/3, MNDO, AM1, and PM3 calculations, the ionization potentials have been assigned to molecular orbitals. The gasβphase thermoly