Understanding bonding in new inorganic clusters

Ajournal cover image paper from the recent PCCP themed issue on Predicting new molecules by quantum chemical methods has been highlighted in UCLA today. The article by Anastassia Alexandrova and her coworkers was featured on the back cover of the issue and describes the authors work on using computational methods to discover new inorganic clusters and understand their bonding.

Read this interesting PCCP paper today:

Selected AB42−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn42−/−

Anastassia N. Alexandrova Michael J. Nayhouse Mioy T. Huynh Jonathan L. Kuo Arek V. Melkonian Gerardo Chavez Nina M. Hernando Matthew D. Kowal and Chi-Ping Liu
Phys. Chem. Chem. Phys., 2012, 14, 14815-14821

DOI: 10.1039/C2CP41821E

Selected AB42−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn42−/−
Anastassia N. Alexandrova, Michael J. Nayhouse, Mioy T. Huynh, Jonathan L. Kuo, Arek V. Melkonian, Gerardo Chavez, Nina M. Hernando, Matthew D. Kowal and Chi-Ping Liu
DOI: 10.1039/C2CP41821E

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