The Fourier transform method was used to calculate polarisation energies in the face-centred cubic and simple cubic phases of fullerene C, crystals, in both the point-molecule approximation and the submolecule treatment. The single-charge polarisation energies and the screened Coulomb stabilisation
Charges and bond energies in the analysis of quantum chemistry calculations
β Scribed by G. G. Hall
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 274 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0020-7608
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