Author(s): Nguyen TN; Timerghazin QK; Vach H; Peslherbe GH;

Molecular electronic excitation in (O(2))(n) clusters induced by mechanical collisions via the "chemistry with a hammer" is investigated by a combination of molecular dynamics simulations and quantum chemistry calculations. Complete active space self-consistent field augmented with triple-zeta polarizable basis set quantum chemistry calculations of a comp ...

Article GUID: 21322678

Author(s): Jardali F; Tran J; Liège F; Florea I; Leulmi ME; Vach H;

The outstanding properties of silicon nanoparticles have been extensively investigated during the last few decades. Experimental evidence and applications of their theoretically predicted permanent electric dipole moment, however, have only been reported for silicon nanoclusters (SiNCs) for a size of about one to two nanometers. Here, we have explored the ...

Article GUID: 37570492