The prediction of inorganic crystal framework structures using excluded regions within a genetic algorithm approach.

We have developed a new technique, which is complementary to other procedures, that will have wide applicability for generating new feasible framework structures with defined microporous architectures from the knowledge of only the unit cell dimensions, constituent elements and by defining forbidden...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Κύριοι συγγραφείς: Woodley, S, Catlow, C, Battle, P, Gale, J
Μορφή: Journal article
Γλώσσα:English
Έκδοση: 2004
Περιγραφή
Περίληψη:We have developed a new technique, which is complementary to other procedures, that will have wide applicability for generating new feasible framework structures with defined microporous architectures from the knowledge of only the unit cell dimensions, constituent elements and by defining forbidden regions within the unit cell.