A 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−/−
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