most citedStereo-Electronic Factors Influencing the Stability of Hydroperoxyalkyl Radicals: Transferability of Chemical Trends across Hydrocarbons and ab initio Methods

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cond-mat.other2010

Deposition of Na Clusters on MgO(001)

M. Baer, P. M. Dinh, L. V. Moskaleva +3

We investigate the dynamics of deposition of small Na clusters on MgO(001) surface. A hierarchical modeling is used combining Quantum Mechanical with Molecular Mechanical (QM/MM) d…

cond-mat.other2010

Angular distributions of electrons emitted from free and deposited Na clusters

M. Baer, P. M. Dinh, L. V. Moskaleva +3

We explore from a theoretical perspective angular distributions of electrons emitted from a Na cluster after excitation by a short laser pulse. The tool of the study is time-de…