| Calculation of one-electron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods? LE Roy, E Jakubikova, MG Guthrie, ER Batista The Journal of Physical Chemistry A 113 (24), 6745-6750, 2009 | 327 | 2009 |
| Low-spin versus high-spin ground state in pseudo-octahedral iron complexes DN Bowman, E Jakubikova Inorganic chemistry 51 (11), 6011-6019, 2012 | 142 | 2012 |
| Ironing out the photochemical and spin-crossover behavior of Fe (II) coordination compounds with computational chemistry DC Ashley, E Jakubikova Coordination Chemistry Reviews 337, 97-111, 2017 | 121 | 2017 |
| Electronic Structure and Spectroscopy of [Ru(tpy)2]2+, [Ru(tpy)(bpy)(H2O)]2+, and [Ru(tpy)(bpy)(Cl)]+ E Jakubikova, W Chen, DM Dattelbaum, FN Rein, RC Rocha, RL Martin, ... Inorganic chemistry 48 (22), 10720-10725, 2009 | 118 | 2009 |
| Cyclometalated Fe (II) Complexes as Sensitizers in Dye-Sensitized Solar Cells S Mukherjee, DN Bowman, E Jakubikova Inorganic chemistry 54 (2), 560-569, 2015 | 106 | 2015 |
| Fe (II)-polypyridines as chromophores in dye-sensitized solar cells: a computational perspective E Jakubikova, DN Bowman Accounts of chemical research 48 (5), 1441-1449, 2015 | 99 | 2015 |
| Interfacial Electron Transfer in TiO2 Surfaces Sensitized with Ru(II)−Polypyridine Complexes E Jakubikova, RC Snoeberger III, VS Batista, RL Martin, ER Batista The Journal of Physical Chemistry A 113 (45), 12532-12540, 2009 | 90 | 2009 |
| Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices MW Mara, DN Bowman, O Buyukcakir, ML Shelby, K Haldrup, J Huang, ... Journal of the American Chemical Society 137 (30), 9670-9684, 2015 | 85 | 2015 |
| Comparison of the Reactivity of 2‐Li‐C6H4CH2NMe2 with MCl4 (M=Th, U): Isolation of a Thorium Aryl Complex or a Uranium Benzyne Complex LA Seaman, EA Pedrick, T Tsuchiya, G Wu, E Jakubikova, TW Hayton Angewandte Chemie International Edition 52 (40), 10589-10592, 2013 | 81 | 2013 |
| A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex S Xu, DC Ashley, HY Kwon, GR Ware, CH Chen, Y Losovyj, X Gao, ... Chemical science 9 (22), 4950-4958, 2018 | 76 | 2018 |
| Density functional theory study of small vanadium oxide clusters E Jakubikova, AK Rappé, ER Bernstein The Journal of Physical Chemistry A 111 (50), 12938-12943, 2007 | 75 | 2007 |
| Tuning the electronic structure of Fe(II) polypyridines via donor atom and ligand scaffold modifications: A computational study DN Bowman, A Bondarev, S Mukherjee, E Jakubikova Inorganic Chemistry 54 (17), 8786-8793, 2015 | 74 | 2015 |
| HOMO inversion as a strategy for improving the light-absorption properties of Fe (II) chromophores S Mukherjee, DE Torres, E Jakubikova Chemical science 8 (12), 8115-8126, 2017 | 60 | 2017 |
| Elucidating Band-Selective Sensitization in Iron(II) Polypyridine-TiO2 Assemblies DN Bowman, JH Blew, T Tsuchiya, E Jakubikova Inorganic chemistry 52 (15), 8621-8628, 2013 | 60 | 2013 |
| Insights into the Spin-State Transitions in [Fe(tpy)2]2+: Importance of the Terpyridine Rocking Motion J Nance, DN Bowman, S Mukherjee, CT Kelley, E Jakubikova Inorganic chemistry 54 (23), 11259-11268, 2015 | 54 | 2015 |
| Reactions of sulfur dioxide with neutral vanadium oxide clusters in the gas phase. II. Experimental study employing single-photon ionization SG He, Y Xie, F Dong, S Heinbuch, E Jakubikova, JJ Rocca, ER Bernstein The Journal of Physical Chemistry A 112 (44), 11067-11077, 2008 | 52 | 2008 |
| Tuning the Redox Potentials and Ligand Field Strength of Fe (II) Polypyridines: The Dual π-Donor and π-Acceptor Character of Bipyridine DC Ashley, E Jakubikova Inorganic chemistry 57 (16), 9907-9917, 2018 | 51 | 2018 |
| Intramolecular Hydrogen Bonding Facilitates Electrocatalytic Reduction of Nitrite in Aqueous Solutions S Xu, HY Kwon, DC Ashley, CH Chen, E Jakubikova, JM Smith Inorganic Chemistry 58, 9443-9451, 2019 | 45 | 2019 |
| Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp)2]2+ A Britz, W Gawelda, TA Assefa, LL Jamula, JT Yarranton, A Galler, ... Inorganic Chemistry 58, 9341-9350, 2019 | 37 | 2019 |
| Reactions of sulfur dioxide with neutral vanadium oxide clusters in the gas phase. I. Density functional theory study E Jakubikova, ER Bernstein The Journal of Physical Chemistry A 111 (51), 13339-13346, 2007 | 35 | 2007 |
C. T. KelleyNorth Carolina State University在 ncsu.edu 的电子邮件经过验证
