Ab initio calculations at Hartree-Fock and fourth-order MΓΈller-Plesset (MP4) correlation correction levels with 6-31G \* basis set have been performed on the epoxyethane dimer. Dimer binding energies have been corrected for the basis set superposition error (BSSE) and the zero-point energy. The grea
β¦ LIBER β¦
Theoretical Study on Intermolecular Interactions and Thermodynamic Properties of Nitroamine Dimers
β Scribed by Xue-Hai Ju; He-Ming Xiao
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 489 KB
- Volume
- 20
- Category
- Article
- ISSN
- 0256-7660
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