An electronic approach for the calculation of the heats of formation of AIIIBV compounds
โ Scribed by A. Pasturel; M. Tmar; C. Colinet
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 332 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0022-3697
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The heats of formation of the trifluoromethanol (CFrOH) and carbonic difluoride (CFrO) molecules are calculated with theoretical methods of demonstrated high accuracy. The results are used to assess the accuracy of the reported value of the heat of formation of CF,O and to provide an accurate estima
The heats of formation for CHsCO and CFsCO molecules have been determined using ab initio molecular orbital calculations from isodesmic schemes. The heat of formation for CHJCO has been calculated as -4.2 +2 kcal mol-', which is in good agreement with experiment and that for CF,CO as -139.9 f 2 kcal