Browsing by Subject "H-2 fragmentation"
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Search for the Global Minimum Structures of AlB3H2n (n=0-6) Clusters
(Wiley-Blackwell, 2015)The global minimum structures of AlB3H2n (n=0-6) clusters are determined using the stochastic search method at the B3LYP/6-31G level of theory. These initially specified geometries are recalculated using B3LYP and CCSD(T) ...