Structural evaluation of systematically enumerated hypothetical uninodal zeolites

被引：48

作者：

Foster, MD

Friedrichs, OD

Bell, RG

Paz, FAA

Klinowski, J

机构：

[1] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1S 4BS, England

[2] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England

[3] Univ Tubingen, Wilhelm Schickard Inst Informat, D-72072 Tubingen, Germany

[4] Univ Tubingen, ZBIT Zentrum Bioinformat, D-72072 Tubingen, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2003年 / 42卷 / 33期

关键词：

computer chemistry; energy minimization; molecular modeling; silicates; zeolites;

D O I：

10.1002/anie.200351556

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Along theoretical channels: Although 139 distinct structural types of zeolite are currently known, the search for new structures with improved applications in catalysis and ion exchange is of extreme interest. Recent advances in mathematical tiling theory has given rise to the enumeration of 294 uninodal frameworks with an empirical formula SiO2 (an energetically stable example of which is shown).

引用

页码：3896 / 3899

页数：4

共 31 条

[1] SYSTEMATIC ENUMERATION OF ZEOLITE FRAMEWORKS [J].