Single molecular conductance of tolanes: experimental and theoretical study on the junction evolution dependent on the anchoring group W Hong, DZ Manrique, P Moreno-García, M Gulcur, A Mishchenko, ... Journal of the American Chemical Society 134 (4), 2292-2304, 2012 | 439 | 2012 |
GOLLUM: a next-generation simulation tool for electron, thermal and spin transport J Ferrer, CJ Lambert, VM García-Suárez, DZ Manrique, D Visontai, ... New Journal of Physics 16 (9), 093029, 2014 | 352 | 2014 |
Single-molecule conductance of functionalized oligoynes: length dependence and junction evolution P Moreno-García, M Gulcur, DZ Manrique, T Pope, W Hong, V Kaliginedi, ... Journal of the American Chemical Society 135 (33), 12228-12240, 2013 | 331 | 2013 |
A quantum circuit rule for interference effects in single-molecule electrical junctions DZ Manrique, C Huang, M Baghernejad, X Zhao, OA Al-Owaedi, ... Nature communications 6 (1), 6389, 2015 | 200 | 2015 |
An MCBJ case study: The influence of π-conjugation on the single-molecule conductance at a solid/liquid interface W Hong, H Valkenier, G Mészáros, DZ Manrique, A Mishchenko, A Putz, ... Beilstein journal of nanotechnology 2 (1), 699-713, 2011 | 187 | 2011 |
Solvent dependence of the single molecule conductance of oligoyne-based molecular wires DC Milan, OA Al-Owaedi, MC Oerthel, S Marqués-González, RJ Brooke, ... The Journal of Physical Chemistry C 120 (29), 15666-15674, 2016 | 84 | 2016 |
Radical‐Enhanced Charge Transport in Single‐Molecule Phenothiazine Electrical Junctions J Liu, X Zhao, Q Al‐Galiby, X Huang, J Zheng, R Li, C Huang, Y Yang, ... Angewandte Chemie 129 (42), 13241-13245, 2017 | 83 | 2017 |
Three‐state single‐molecule naphthalenediimide switch: integration of a pendant redox unit for conductance tuning Y Li, M Baghernejad, AG Qusiy, D Zsolt Manrique, G Zhang, J Hamill, ... Angewandte Chemie 127 (46), 13790-13793, 2015 | 68 | 2015 |
Correlation of breaking forces, conductances and geometries of molecular junctions K Yoshida, IV Pobelov, DZ Manrique, T Pope, G Mészáros, M Gulcur, ... Scientific reports 5 (1), 9002, 2015 | 62 | 2015 |
Highly-effective gating of single-molecule junctions: an electrochemical approach M Baghernejad, DZ Manrique, C Li, T Pope, U Zhumaev, I Pobelov, ... Chemical communications 50 (100), 15975-15978, 2014 | 53 | 2014 |
Graphene sculpturene nanopores for DNA nucleobase sensing H Sadeghi, L Algaragholy, T Pope, S Bailey, D Visontai, D Manrique, ... The Journal of Physical Chemistry B 118 (24), 6908-6914, 2014 | 52 | 2014 |
A new approach to materials discovery for electronic and thermoelectric properties of single-molecule junctions DZ Manrique, Q Al-Galiby, W Hong, CJ Lambert Nano Letters 16 (2), 1308-1316, 2016 | 51 | 2016 |
Quantum interference in single molecule electronic systems RE Sparks, VM García-Suárez, DZ Manrique, CJ Lambert Physical Review B—Condensed Matter and Materials Physics 83 (7), 075437, 2011 | 51 | 2011 |
Asymmetry-induced resistive switching in Ag-Ag2S-Ag memristors enabling a simplified atomic-scale memory design A Gubicza, DZ Manrique, L Pósa, CJ Lambert, G Mihály, M Csontos, ... Scientific reports 6 (1), 30775, 2016 | 47 | 2016 |
Quantum computational quantification of protein–ligand interactions JJM Kirsopp, C Di Paola, DZ Manrique, M Krompiec, G Greene‐Diniz, ... International Journal of Quantum Chemistry 122 (22), e26975, 2022 | 45 | 2022 |
Redox control of thermopower and figure of merit in phase-coherent molecular wires VM García-Suárez, CJ Lambert, DZ Manrique, T Wandlowski Nanotechnology 25 (20), 205402, 2014 | 45 | 2014 |
Adverse effects of asymmetric contacts on single molecule conductances of HS (CH2) n COOH in nanoelectrical junctions S Martin, DZ Manrique, VM Garcia-Suarez, W Haiss, SJ Higgins, ... Nanotechnology 20 (12), 125203, 2009 | 45 | 2009 |
Structural versus electrical functionalization of oligo (phenylene ethynylene) diamine molecular junctions MT González, X Zhao, DZ Manrique, D Miguel, E Leary, M Gulcur, ... The Journal of Physical Chemistry C 118 (37), 21655-21662, 2014 | 42 | 2014 |
Anisotropic magnetoresistance in atomic chains of iridium and platinum from first principles VM García-Suárez, DZ Manrique, CJ Lambert, J Ferrer Physical Review B—Condensed Matter and Materials Physics 79 (6), 060408, 2009 | 33 | 2009 |
Momentum-space unitary coupled cluster and translational quantum subspace expansion for periodic systems on quantum computers DZ Manrique, IT Khan, K Yamamoto, V Wichitwechkarn, DM Ramo arXiv preprint arXiv:2008.08694, 2020 | 31 | 2020 |