| Initial stages of oxidation on graphitic surfaces: photoemission study and density functional theory calculations A Barinov, OB Malcioglu, S Fabris, T Sun, L Gregoratti, M Dalmiglio, ... The Journal of Physical Chemistry C 113 (21), 9009-9013, 2009 | 276 | 2009 |
| turboTDDFT–A code for the simulation of molecular spectra using the Liouville–Lanczos approach to time-dependent density-functional perturbation theory OB Malcıoğlu, R Gebauer, D Rocca, S Baroni Computer Physics Communications 182 (8), 1744-1754, 2011 | 162 | 2011 |
| Dielectric and thermal effects on the optical properties of natural dyes: A case study on solvated cyanin OB Malcıoğlu, A Calzolari, R Gebauer, D Varsano, S Baroni Journal of the American Chemical Society 133 (39), 15425-15433, 2011 | 65 | 2011 |
| From White to Red: Electric‐Field Dependent Chromaticity of Light‐Emitting Electrochemical Cells based on Archetypal Porphyrins MD Weber, JE Wittmann, A Burger, OB Malcıoğlu, J Segarra‐Martí, ... Advanced Functional Materials 26 (37), 6737-6750, 2016 | 57 | 2016 |
| Harnessing molecular excited states with Lanczos chains S Baroni, R Gebauer, OB Malcioğlu, Y Saad, P Umari, J Xian Journal of Physics: Condensed Matter 22 (7), 074204, 2010 | 30 | 2010 |
| First-principles design of efficient solar cells using two-dimensional arrays of core-shell and layered SiGe nanowires R Peköz, OB Malcıoğlu, JY Raty Physical Review B 83 (3), 035317, 2011 | 27 | 2011 |
| Structural and thermal properties of Cd–Zn–Te ternary nanoparticles: Molecular-dynamics simulations M Kurban, OB Malcıoğlu, Ş Erkoç Chemical Physics 464, 40-45, 2016 | 26 | 2016 |
| Electronic properties of carbon nanotoroidal structures E Yazgan, E Taşci, OB Malcioğlu, Ş Erkoç Journal of Molecular Structure: THEOCHEM 681 (1-3), 231-234, 2004 | 21 | 2004 |
| Effect of chirality on the stability of carbon nanotubes: Molecular-dynamics simulations Ş Erkoç, OB Malcioğlu International Journal of Modern Physics C 12 (06), 865-870, 2001 | 21 | 2001 |
| Stability of Carbon Nanotori under Heat Treatment: Molecular‐Dynamics Simulations E Taşcı, E Yazgan, OB Malcıoğlu, Ş Erkoç Fullerenes, nanotubes, and carbon nanostructures 13 (2), 147-154, 2005 | 18 | 2005 |
| Structural properties of carbon nanorods: Molecular-dynamics simulations Ş Erkoç, OB Malcioğlu International Journal of Modern Physics C 13 (03), 367-373, 2002 | 16 | 2002 |
| Structural properties of diamond nanorods: molecular-dynamics simulations OB Malcioğlu, Ş Erkoç International Journal of Modern Physics C 14 (04), 441-447, 2003 | 15 | 2003 |
| Electronic structure of tetraphenylporphyrin layers on Ag (100) A Classen, R Pöschel, G Di Filippo, T Fauster, OB Malcıoğlu, ... Physical Review B 95 (11), 115414, 2017 | 14 | 2017 |
| Structural and electronic properties of single-wall GaN nanotubes: semi-empirical SCF-MO calculations Ş Erkoç, OB Malcioğlu, E Taşci Journal of Molecular Structure: THEOCHEM 674 (1-3), 1-5, 2004 | 14 | 2004 |
| Stability of C60 chains: molecular dynamics simulations OB Malcioğlu, Ş Erkoç Journal of Molecular Graphics and Modelling 23 (4), 367-371, 2005 | 9 | 2005 |
| Thermal stability of benzorods: Molecular-dynamics simulations OB Malcioglu, S Erkoc Journal of Molecular Graphics and Modelling 24 (3), 213-218, 2005 | 8 | 2005 |
| Effect of crystallization on the electronic and optical properties of archetypical porphyrins OB Malcıoğlu, I Bechis, M Bockstedte Physical Chemistry Chemical Physics 22 (7), 3825-3830, 2020 | 7 | 2020 |
| Self-metalation of a free-base porphyrin on a metal oxide surface mediated by extended defects: Insight from ab initio molecular dynamics simulations OB Malcıoğlu, M Bockstedte Surface Science 723, 122101, 2022 | 5 | 2022 |
| Junction formation in crossed nanotubes under pressure: Molecular-dynamics simulations E Taşci, OB Malcioğlu, Ş Erkoç International Journal of Modern Physics C 16 (09), 1371-1377, 2005 | 5 | 2005 |
| Morphology dependent interaction between Co (II)-tetraphenylporphyrin and the MgO (100) surface S Ninova, OB Malcıoğlu, P Auburger, M Franke, O Lytken, HP Steinrück, ... Physical Chemistry Chemical Physics 23 (3), 2105-2116, 2021 | 4 | 2021 |
