Ontology highlight
ABSTRACT:
SUBMITTER: Witman M
PROVIDER: S-EPMC6024208 | biostudies-literature | 2016 Sep
REPOSITORIES: biostudies-literature
Chemical science 20160621 9
In this work we present the <i>in silico</i> design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type analogs. Furthermore, we perform a broad search for new linkers that satisfy the topological requirements of MOF-74 and consider the largest database of known chemical space for organic compounds, the PubChem database. Our <i>in silico< ...[more]