544 citations · 2.8k across the 45 of their papers we have counts for
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cond-mat.mtrl-sci2004★ 45 cited
Single channel conductance of H molecules attached to platinum or palladium electrodes
V. M. Garcia-Suarez, A. R. Rocha, S. W. Bailey +3
We report a detailed theoretical study of the bonding and conduction properties of an hydrogen molecule joining either platinum or palladium electrodes. We show that an atomic arra…
cond-mat.mtrl-sci2004★ 35 cited
First principles simulations of the magnetic and structural properties of Iron
V. M. Garcia-Suarez, C. M. Newman, C. J. Lambert +2
We have implemented non-collinear GGA and a generalized Bloch's theorem to simulate unconmensurate spiral arrangements of spins in a Density Functional Theory code based on localiz…