Browsing by Author "a15bc9a8-d4a1-4cfe-b8e6-bacb67a9838c"
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Muñoz, Francisco; Cardenas, Carlos; Rogan Castillo, José; Valdivia Hepp, Juan; Fuentealba Rosas, Patricio; Kiwi Tichauer, Miguel (2013)The dynamics of the collision process of a titanium dimer against a C 20 nanocluster in the bowl configuration is simulated by means ab initio molecular dynamics, focusing our interest on the first steps to synthesize ...
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Cardenas, Carlos; Heidar Zadeh, Farnaz; Ayers, Paul W. (2016)We present benchmark values for the electronic chemical potential and chemical hardness from reference data for ionization potentials and electron affinities. In cases where the energies needed to compute these quantities ...