Electronegativity of ionic groups. Evaluation from MNDO calculations
โ Scribed by Dipankar Datta; Devashis Majumdar
- Book ID
- 112919708
- Publisher
- Indian Academy of Sciences,Royal Society of Chemistry
- Year
- 1991
- Tongue
- English
- Weight
- 279 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0253-4134
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๐ SIMILAR VOLUMES
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
## Abstract The calculation of __gauche__ coupling constants from substituent electronegativities by a method which takes into account the orientation of the substituents is described. This correlation has been derived from the coupling constants of disubstituted ethanes and has been applied to the