314 citations · 1.3k across the 32 of their papers we have counts for
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cond-mat.mtrl-sci2006★ 7 cited
Electron transport through dipyrimidinyl-diphenyl diblock molecular wire: protonation effect
Zhenyu Li
Recently, rectifying direction inversion has been observed in dipyrimidinyl-diphenyl (PMPH) diblock molecular wire [J. Am. Chem. Soc. (2005) 127, 10456], and a protonation mechanis…
cond-mat.mtrl-sci2006★ 52 cited
Orbital Interaction Mechanisms of Conductance Enhancement and Rectification by Dithiocarboxylate Anchoring Group
Zhenyu Li, D. S. Kosov
We study computationally the electron transport properties of dithiocarboxylate terminated molecular junctions. Transport properties are computed self-consistently within density f…