## Abstract HF, MP2, and B3LYP calculations with different basis sets have been used in the computation of the stabilization energies of C~3~H~7~X isomers, where X is F, Cl, and Br. The experimental stabilization energies of the structural isomers of C~3~H~7~Cl and C~3~H~7~Br have been reproduced v
✦ LIBER ✦
Stability of XSO2 (X=F, Cl, and Br) radical: impact of the basis set on X–S bonding energy in ab initio and DFT calculations
✍ Scribed by Alexei F Khalizov; Parisa A Ariya
- Book ID
- 111713964
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 158 KB
- Volume
- 350
- Category
- Article
- ISSN
- 0009-2614
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