| Autor: |
Motherwell, W.D. Sam, Ammon, Herman L., Dunitz, Jack D., Dzyabjchenko, Alexander, Erk, Peter, Hofmann, Detlef W.M., Lommerse, Jos P.M. |
| Předmět: |
|
| Zdroj: |
Acta Crystallographica: Section B (Wiley-Blackwell); Aug2002, Vol. 58 Issue 4, p647, 15p |
| Abstrakt: |
Presents crystal structure prediction of small organic molecules based on a blind test conducted during a workshop held at the Cambridge Crystallographic Data Centre in England. Results indicating that the correct structure was often present in the sorted low-energy lists from the participants but at a ranking position greater than three; Investigation into the use of non-indexed powder diffraction data. |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
Plný text