The application of molecular orbital calculations to wood chemistry
โ Scribed by T. J. Elder; S. D. Worley
- Publisher
- Springer
- Year
- 1984
- Tongue
- English
- Weight
- 442 KB
- Volume
- 18
- Category
- Article
- ISSN
- 0043-7719
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๐ SIMILAR VOLUMES
The ~o-technique of the simple MO method is found to provide a reasonably good correlation with the available experimental data on partial rate factors of nitration of altemant and non-altemant polycyclic aromatic hydrocarbons. THE application of MO methods to orientation and partial rate factors i
The alternant molecular orbital method is a device for taking into account the horizontal correlation among electrons posessing different spins. A comparison with the configurationinteraction treatment suggests that in the case of aromatic hydrocarbons the method can yield reliable results only if t