✦ LIBER ✦
The use of CNDO/force and compliance constant methods in evaluating quadratic potential functions of carbonyl and formyl fluorides
✍ Scribed by A. S. N. Murthy; Shoba Ranganathan
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 522 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0192-8651
No coin nor oath required. For personal study only.
✦ Synopsis
cNDo/Force and compliance constant methods were applied to define general quadratic potential functions for FzCO and HCOF. A satisfactory set of compliants was obtained by suitably scaling down the stretching and stretch-stretch elements of the initial force constant matrix, evaluated by the CNno/force approach, followed by fitting the compliants to available experimental data.