We consider two metal-organic frameworks as identical if they share the same bond network respecting the atom types. An algorithm is presented that decides whether two metal-organic frameworks are the same. It is based on distinguishing structures by comparing a set of descriptors that is obtained from the bond network. We demonstrate our algorithm by analyzing the CoRe MOF database of DFT opti...

Xuan Zhang Advisor: Prof. Kim R. Dunbar Apr. 16, 2012 Room 2102 Ever since its appearance about 17 years ago, 1 the term Metal-Organic Frameworks (MOFs) has been gaining tremendous attention in chemistry and crystal engineering because of the fascinating solid state materials it pertains to. These MOFs, also known as porous coordination polymers (PCPs) are characterized by their high porosity, ...

Plasmonic metal-organic frameworks are composite nanoparticles comprising plasmonic metal (NPs) embedded within a framework (MOF) matrix. As result, not only the functionalities of individual components retained, but synergistic effects additionally provide improved chemical and physical properties. Recent progress in MOFs has demonstrated potential for nanofabrication various nanotechnology ap...