TY - JOUR
T1 - Criteria for zeolite frameworks realizable for target synthesis
AU - Li, Yi
AU - Yu, Jihong
AU - Xu, Ruren
PY - 2013/2/4
Y1 - 2013/2/4
N2 - 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 T-T and T-O distances (TT> and TO>; T is Si, Al, P, or another element) in existing zeolites (graph region highlighted in cyan) have a linear relationship.
AB - 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 T-T and T-O distances (TT> and TO>; T is Si, Al, P, or another element) in existing zeolites (graph region highlighted in cyan) have a linear relationship.
KW - local interatomic distances
KW - molecular modeling
KW - structural chemistry
KW - structure prediction
KW - zeolites
UR - http://www.scopus.com/inward/record.url?scp=84873384361&partnerID=8YFLogxK
U2 - 10.1002/anie.201206340
DO - 10.1002/anie.201206340
M3 - Article
AN - SCOPUS:84873384361
SN - 1433-7851
VL - 52
SP - 1673
EP - 1677
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 6
ER -