MNDO calculations on diazirines
β Scribed by David Burkholder; William E. Jones; Kenneth W. Ling; John S. Wasson; Michael T. H. Liu
- Publisher
- Springer
- Year
- 1980
- Tongue
- English
- Weight
- 291 KB
- Volume
- 55
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract A comparison is made of MNDO and MINDO/3 calculations for saturated siliconβcontaining molecules, and with experimental values, for heats of formation, molecular geometries, charge distributions, and ionization potentials. Except for bond angles, it is found that with the published para
A large set of charged species arising mainly from protonation or deprotonation of hydrocarbons, alcohols, ethers, carboxylic acids, amines, imines, and nitriles has been studied by means of the semiempirical self-consistent-field (SCF) molecular orbital (MO) MNDO method. From the calculated heats o