27th Jul 2013
Josep M. Poblet, August 29, 2013

Josep M. Poblet, August 29, 2013

Theoretical Chemistry Colloquium AUGUST 29, 2013 (Thu), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery   Electronic Structure of Polyoxometalates: From the Nucleation of Small Polyoxotungstates to the Properties of Large Anions...

27th Jul 2013
Stochastic Search of Molecular Cluster Interaction Energy Surfaces with Coupled Cluster Quality Prediction. The Phenylacetylene Dimer

Stochastic Search of Molecular Cluster Interaction Energy Surfaces with Coupled Cluster Quality Prediction. The Phenylacetylene Dimer

Matthew A. Addicoat, Yoshifumi Nishimura, Takeshi Sato, Takao Tsuneda, and Stephan Irle J. Chem. Theory Comput., Article ASAP DOI: 10.1021/ct4003515 Publication Date (Web): July 10, 2013 We report a stochastic...

06th Jul 2013
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Dr. Alister J. Page, July 24, 2013

Theoretical Chemistry Colloquium JULY 24, 2013 (Wed), 16:00-17:00 RCMS, 2nd floor, Chemistry Gallery   Simulating Ionic Liquid Nanostructure with Quantum Chemistry Dr. Alister J. Page Discipline of Chemistry, The University...