14 citations · 51 across the 9 of their papers we have counts for
9 papers
Current vortices in aromatic carbon molecules
Thomas Stegmann, John A. Franco-Villafañe, Yenni P. Ortiz +6
The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilib…
Lithium Adsorbtion on Polyacenes Zig-zag-edge Graphene Strips
Yenni P. Ortiz, Douglas J. Klein, Thomas H. Seligman
The effect of increased electron-density (from adsorbed Li atoms) in polyacenes and in nano-ribbons with zig-zag edge is discussed in terms of resonance theoretical considerations…
Tetrahedral Units: For Dodecahedral Super-Structures
Y. Ortiz, D. J. Klein, J. F. Liebman
Different novel organic-chemical possibilities for tetrahedral building units are considered, with attention to their utility in constructing different super-structures. As a repre…
Chains of benzenes with lithium-atom adsorption: Vibrations and spontaneous symmetry breaking
Yenni P. Ortiz, Thomas Stegmann, Douglas J. Klein +1
We study effects of different configurations of adsorbates on the vibrational modes as well as symmetries of polyacenes and poly-p-phenylenes focusing on lithium atom adsorption. W…
Microwave emulations and tight-binding calculations of transport in polyacetylene
Thomas Stegmann, John A. Franco-Villafañe, Yenni P. Ortiz +3
A novel approach to investigate the electron transport of cis- and trans-polyacetylene chains in the single-electron approximation is presented by using microwave emulation measure…
Energies for cyclic and acyclic aggregations of adamantane and diamantane units sharing vertices, edges, or six-membered rings
Alexandru T. Balaban, Debojit Bhattacharya, Douglas J. Klein +1
Diamondoids are hydrocarbons having a carbon scaffold comprised from polymer-like composites of adamantane cages. The present paper describes computed total energies and "SWB-tensi…