The structure, binding energy and harmonic force field of CuC2H e have been studied using local and gradient-corrected density functionals. All the functionals indicate that the 2~ electronic state of a C s vinylic structure corresponds to the absolute energy minimum, whereas the 2A 2 electronic sta
β¦ LIBER β¦
Structure, epr parameters, and reactivity of organic free radicals from a density functional approach
β Scribed by Barone, Vincenzo
- Book ID
- 120074300
- Publisher
- Springer
- Year
- 1995
- Tongue
- English
- Weight
- 1007 KB
- Volume
- 91
- Category
- Article
- ISSN
- 1432-2234
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