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Criteria for Zeolite Frameworks Realizable for Target Synthesis
Author(s) -
Li Yi,
Yu Jihong,
Xu Ruren
Publication year - 2013
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201206340
Subject(s) - computer science , set (abstract data type) , graph , service (business) , zeolite , information retrieval , theoretical computer science , chemistry , programming language , business , marketing , catalysis , biochemistry
The huge pool of hypothetical zeolites can be screened for likely candidates for successful targeted synthesis on the basis of a set of reliable criteria derived from the observation that the local interatomic distances in all existing zeolites strictly obey several rules. For example, the average TT and TO distances (< D TT > and < D TO >; T is Si, Al, P, or another element) in existing zeolites (graph region highlighted in cyan) have a linear relationship.
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