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Spin and Exchange Coupling for Ti Embedded in a Surface Dipolar Network (with Jesus Cruz and Barbara Jones), Physical Review B (2011)
We have studied the spin and exchange coupling of Ti atoms deposited on a Cu2N/Cu(100)...
Bond Stiffening in Small Nanoclusters and Its Consequences for Mechanical and Thermal Properties (with Umesh Waghmare and Shobhana Narasimhan), Physical Review B (2008)
We have used density functional perturbation theory to investigate the stiffness of interatomic bonds in...
Interplay Between Bonding and Magnetism in the Binding of NO to Rh Clusters (with Prasenjit Ghosh, Stefano de Gironcoli, and Shobhana Narasimhan), Journal of Chemical Physics (2008)
We have studied the binding of NO to small Rh clusters, containing one to five...
SixC1−xO2 Alloys: A Possible Route to Stabilize Carbon-Based Silica-Like Solids?, Solid State Communications (2007)
Novel extended tetrahedral forms of CO2 have been synthesized recently under high-pressure conditions. We perform...