| Density Functional Theory (DFT) Study of Coumarin-based Dyes Adsorbed on TiO2 Nanoclusters—Applications to Dye-Sensitized Solar Cells CI Oprea, P Panait, F Cimpoesu, M Ferbinteanu, MA Gîrţu Materials 6 (6), 2372-2392, 2013 | 87 | 2013 |
| A combined experimental and theoretical study of natural betalain pigments used in dye-sensitized solar cells CI Oprea, A Dumbravă, I Enache, A Georgescu, MA Gîrţu Journal of Photochemistry and Photobiology A: Chemistry 240, 5-13, 2012 | 82 | 2012 |
| TOWARD A MORE EFFICIENT UTILISATION OF BETALAINS AS PIGMENTS FOR DYE-SENSITIZED SOLAR CELLS. A Dumbravă, I Enache, CI Oprea, A Georgescu, MA Gîrţu Digest Journal of Nanomaterials & Biostructures (DJNB) 7 (1), 2012 | 76 | 2012 |
| DFT study of binding and electron transfer from a metal-free dye with carboxyl, hydroxyl, and sulfonic anchors to a titanium dioxide nanocluster CI Oprea, P Panait, J Lungu, D Stamate, A Dumbravă, F Cimpoesu, ... International Journal of Photoenergy 2013, 2013 | 34 | 2013 |
| Structure and Electronic Properties of TiO2 Nanoclusters and Dye–Nanocluster Systems Appropriate to Model Hybrid Photovoltaic or Photocatalytic Applications CI Oprea, MA Gîrțu Nanomaterials 9 (3), 357, 2019 | 33 | 2019 |
| DFT study of electronic structure and optical properties of some Ru-and Rh-based complexes for dye-sensitized solar cells CI Oprea, B Frecuş, BF Minaev, MA Gîrţu Molecular Physics 109 (21), 2511-2523, 2011 | 24 | 2011 |
| Degenerate perturbation theory for electronic g tensors: Leading-order relativistic effects Z Rinkevicius, KJ de Almeida, CI Oprea, O Vahtras, H Ågren, K Ruud Journal of Chemical Theory and Computation 4 (11), 1810-1828, 2008 | 23 | 2008 |
| Density functional theory study of indirect nuclear spin-spin coupling constants with spin-orbit corrections CI Oprea, Z Rinkevicius, O Vahtras, H Ågren, K Ruud The Journal of chemical physics 123 (1), 2005 | 22 | 2005 |
| On exchange coupling and bonding in the Gd2@ C80 and Gd2@ C79N endohedral dimetallo-fullerenes F Cimpoesu, B Frecus, CI Oprea, H Ramanantoanina, W Urland, C Daul Molecular Physics 113 (13-14), 1712-1727, 2015 | 19 | 2015 |
| Heterocyclic azodyes as pigments for dye sensitized solar cells—a combined experimental and theoretical study J Lungu, CI Oprea, A Dumbrava, I Enache, A Georgescu, C Radulescu, ... Journal of Optoelectronics and Advanced Materials 12 (9), 1969, 2010 | 19 | 2010 |
| Disorder, exchange and magnetic anisotropy in the room-temperature molecular magnet V [TCNE] x–A theoretical study F Cimpoesu, B Frecus, CI Oprea, P Panait, MA Gîrţu Computational materials science 91, 320-328, 2014 | 17 | 2014 |
| Time-dependent density functional theory with the generalized restricted-unrestricted approach CI Oprea, L Telyatnyk, Z Rinkevicius, O Vahtras, H Ågren The Journal of chemical physics 124 (17), 2006 | 17 | 2006 |
| DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO2 nanocluster: Application to photocatalytic degradation under visible light irradiation CI Oprea, P Panait, MA Gîrţu Beilstein Journal of Nanotechnology 5 (1), 1016-1030, 2014 | 16 | 2014 |
| Ab initio study of exchange coupling for the consistent understanding of the magnetic ordering at room temperature in V[TCNE] x B Frecus, CI Oprea, P Panait, M Ferbinteanu, F Cimpoesu, MA Gîrţu Theoretical Chemistry Accounts 133, 1-17, 2014 | 16 | 2014 |
| Noble gas endohedral fullerenes, Ng@C60 (Ng=Ar, Kr): a particular benchmark for assessing the account of non-covalent interactions by density functional theory … B Frecus, CM Buta, CI Oprea, A Stroppa, MV Putz, F Cimpoesu Theoretical Chemistry Accounts 135, 1-9, 2016 | 14 | 2016 |
| Role of energy level alignment in solar cells sensitized with a metal‐free organic dye: A combined experimental and theoretical approach CI Oprea, A Dumbravă, I Enache, J Lungu, A Georgescu, F Moscalu, ... physica status solidi (a) 208 (10), 2467-2477, 2011 | 13 | 2011 |
| Time-dependent density functional theory for nonlinear properties of open-shell systems Z Rinkevicius, PC Jha, CI Oprea, O Vahtras, H Ågren The Journal of chemical physics 127 (11), 2007 | 13 | 2007 |
| Broken symmetry DFT calculations of exchange coupling constants for manganese–porphyrin quasi-one-dimensional molecular magnets CI Oprea, P Panait, F Cimpoesu, I Humelnicu, M Ferbinteanu, MA Gîrţu Theoretical Chemistry Accounts 131, 1-13, 2012 | 11 | 2012 |
| DFT study of structure–properties correlations in [MnTPP][TCNE] quasi-one-dimensional molecular magnets CI Oprea, F Cimpoesu, P Panait, B Frecuş, M Ferbinteanu, MA Gîrţu Theoretical Chemistry Accounts 129, 847-857, 2011 | 11 | 2011 |
| Photoexcitation processes in oligomethine cyanine dyes for dye-sensitized solar cells—synthesis and computational study CI Oprea, P Panait, ZM Essam, RM Abd El-Aal, MA Gîrțu Nanomaterials 10 (4), 662, 2020 | 10 | 2020 |
Mihai A. GirtuUniversitatea Ovidius din Constanta / Ovidius University of ConstantaVerified email at univ-ovidius.ro
