Potential energy surface and thermochemistry for the direct gas phase reaction of germane and water
✍ Scribed by Bhaskar Mondal; Indranil Bhattacharyya; Deepanwita Ghosh; Abhijit K. Das
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 379 KB
- Volume
- 20
- Category
- Article
- ISSN
- 1040-0400
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📜 SIMILAR VOLUMES
Accurate ab initio computations have been carried out on the minima and saddle points involved in the dynamics of the reaction of P+ with water using a slightly modified version of G 1 and G2 theories (J. Chem. Phys. 94 ( 199 1) 43 1 S ). In addition, an approximate classical trajectory method and R
## Abstract The thermal decomposition of six phenyldiazirine (2) hemicarceplexes and the spectroscopic properties of these hemicarceplexes, as well as those of one spiro[cyclobutabenzene‐1(2__H__),3′‐diazirine] (1) and one __p__‐tolyldiazirine (3) hemicarceplex, have been investigated in order to d
## Abstract The determination of all possible low‐lying energy conformers of flexible molecules is of fundamental interest for various applications. It necessitates a reliable conformational search that is able to detect all important minimum structures and calculates the energies on an adequate le
## Abstract The gas phase reaction of iodine (2.8–43.3 torr) with methyl ethyl ketone (MEK) (7.4–303.4 torr) has been studied over the temperature range 280–355°C in a static system. The initial rate of disappearance of I~2~ is first order in MEK and half order in I~2~. The rate‐determining step is