Abstract
A technique based on the multipole expansion is used to calculate accurately and for a negligible computing effort the long-range contributions in helical systems. The only quantities to be evaluated are the multipole moments of the charge distribution in the reduced unit cell. The method is applied to the 2*3/1 isotactic polypropylene helix.
| Original language | English |
|---|---|
| Pages (from-to) | 405-418 |
| Number of pages | 14 |
| Journal | International Journal of Quantum Chemistry |
| Volume | 18 |
| Issue number | S14 |
| DOIs | |
| Publication status | Published - 1980 |
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