The equilibrium structures, vibrational spectra, and heats of formation for CH OCl and CH ClO have been estimated using high levels of ab initio molecular 3 3 orbital theory. The lowest energy isomer is found to be CH OCl, and its heat of 3 formation is estimated to be y13.5 " 2 kcal mol y1 , in goo
An Ab Initio Study of Structures and Energetics of Copper Sulfide Clusters
✍ Scribed by Dipl.-Chem. Stefanie Dehnen; Dr. Ansgar Schäfer; Prof. Reinhart Ahlrichs; Prof. Dr. Dieter Fenske
- Publisher
- John Wiley and Sons
- Year
- 1996
- Tongue
- English
- Weight
- 754 KB
- Volume
- 2
- Category
- Article
- ISSN
- 0947-6539
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