The preferred structures and dissociation energies of Be4 and Be13 am determined by ab initio methods, including Meller-Plesset perturbation theory, coupied-eluster theory, and multireference CL Both species serve as calibration points for basis set extension and efectron correlation effects. The re
Effects of basis set and electron correlation on the structure and vibrational spectra of diborane
β Scribed by Amrendra Vijay; D.N. Sathyanarayana
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 992 KB
- Volume
- 351
- Category
- Article
- ISSN
- 0022-2860
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