22 citations · 26 across the 2 of their papers we have counts for
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Taming the rugged landscape: production, reordering, and stabilization of selected cluster inherent structures in the X_(13-n)Y_n system
Dubravko Sabo, J. D. Doll, David L. Freeman
We present studies of the potential energy landscape of selected binary Lennard-Jones thirteen atom clusters. The effect of adding selected impurity atoms to a homogeneous cluster…
Phase changes in selected Lennard-Jones X_{13-n}Y_n clusters
Dubravko Sabo, Cristian Predescu, J. D. Doll +1
Detailed studies of the thermodynamic properties of selected binary Lennard-Jones clusters of the type X_{13-n}Y_n (where n=1,2,3) are presented. The total energy, heat capacity an…
Broken-Symmetry Unrestricted Hybrid Density Functional Calculations on Nickel Dimer and Nickel Hydride
Cristian V. Diaconu, Art E. Cho, J. D. Doll +1
In the present work we investigate the adequacy of broken-symmetry unrestricted density functional theory (DFT) for constructing the potential energy curve of nickel dimer and nick…