## Abstract On the basis of the published knowledge on micromechanism of detonation initiation, existence was predicted and indirectly proved of the direct relationship between activation energies of lowβtemperature nonβautocatalyzed thermolysis of nitramines and nitrosamines, on the one hand, and
Molecular orbital studies on the optical activity of chiral nitrosamines and nitramines
β Scribed by Steven Ferber; F.S. Richardson
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- French
- Weight
- 466 KB
- Volume
- 33
- Category
- Article
- ISSN
- 0040-4020
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
In order to investigate the influence of electron correlation on the characteristic N-N bond in connection with the impact sensitivity in nitramines, only the N-NO2 bond length of N,Ndimethylnitramine is optimized by the ab initio molecular orbital method to assess the effect of the electron correla
## Abstract In the active site of lactate dehydrogenase important roles are given to aminoacids His195 and Arg171. The coenzyme nicotinamide adenine dinucleotide (NAD) is required in oxidized form (NAD^+^) for the enzymatic oxidation of the substrate __L__βlactate. Molecular orbital methods CNDO/2,
Ab initio molecular orbital calcuiations using a contracted basis of gaussian orbitals on the system methanethiol/imidazole are reported. For the hydrogen bond S---H---N in this system, which was chosen as a mode1 for the active site of papain, a double-well potential was found at a S-N separation o