Elena Jakubikova, Ph.D. - Publications

2007 Chemistry Colorado State University, Fort Collins, CO 
 2007-2010 Los Alamos National Laboratory, Los Alamos, NM, United States 
 2010- Chemistry North Carolina State University, Raleigh, NC 
Physical Chemistry

33 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Britz A, Gawelda W, Assefa TA, Jamula LL, Yarranton JT, Galler A, Khakhulin D, Diez M, Harder M, Doumy G, March AM, Bajnóczi É, Németh Z, Pápai M, Rozsályi E, ... ... Jakubikova E, et al. Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp)]. Inorganic Chemistry. PMID 31241335 DOI: 10.1021/acs.inorgchem.9b01063  0.56
2018 Ashley DC, Mukherjee S, Jakubikova E. Designing air-stable cyclometalated Fe(ii) complexes: stabilization via electrostatic effects. Dalton Transactions (Cambridge, England : 2003). PMID 30467572 DOI: 10.1039/c8dt04402c  0.56
2018 Mukherjee S, Liu C, Jakubikova E. Comparison of Interfacial Electron Transfer Efficiency in [Fe(ctpy)2]2+-TiO2 and [Fe(cCNC)2]2+-TiO2 Assemblies: Importance of Conformational Sampling. The Journal of Physical Chemistry. A. PMID 29369631 DOI: 10.1021/acs.jpca.7b10932  0.56
2017 Mukherjee S, Torres DE, Jakubikova E. HOMO inversion as a strategy for improving the light-absorption properties of Fe(ii) chromophores. Chemical Science. 8: 8115-8126. PMID 29568460 DOI: 10.1039/c7sc02926h  0.56
2016 Shrestha K, Virgil KA, Jakubikova E. Electronic Absorption Spectra of Tetrapyrrole-Based Pigments via TD-DFT: A Reduced Orbital Space Study. The Journal of Physical Chemistry. A. PMID 27392135 DOI: 10.1021/acs.jpca.6b04797  1
2016 Frasco DA, Mukherjee S, Sommer RD, Perry CM, Lambic NS, Abboud KA, Jakubikova E, Ison EA. Nondirected C-H Activation of Arenes with Cp∗Ir(III) Acetate Complexes: An Experimental and Computational Study Organometallics. 35: 2435-2445. DOI: 10.1021/acs.organomet.6b00308  1
2015 Nance J, Bowman DN, Mukherjee S, Kelley CT, Jakubikova E. Insights into the Spin-State Transitions in [Fe(tpy)2](2+): Importance of the Terpyridine Rocking Motion. Inorganic Chemistry. PMID 26569373 DOI: 10.1021/acs.inorgchem.5b01747  0.88
2015 High JS, Virgil KA, Jakubikova E. Electronic Structure and Absorption Properties of Strongly Coupled Porphyrin-Perylene Arrays. The Journal of Physical Chemistry. A. 119: 9879-88. PMID 26322743 DOI: 10.1021/acs.jpca.5b05600  1
2015 Bowman DN, Bondarev A, Mukherjee S, Jakubikova E. Tuning the Electronic Structure of Fe(II) Polypyridines via Donor Atom and Ligand Scaffold Modifications: A Computational Study. Inorganic Chemistry. 54: 8786-93. PMID 26295275 DOI: 10.1021/acs.inorgchem.5b01409  1
2015 Shrestha K, Jakubikova E. Ground-State Electronic Structure of RC-LH1 and LH2 Pigment Assemblies of Purple Bacteria via the EBF-MO Method. The Journal of Physical Chemistry. A. 119: 8934-43. PMID 26215074 DOI: 10.1021/acs.jpca.5b05644  1
2015 Mara MW, Bowman DN, Buyukcakir O, Shelby ML, Haldrup K, Huang J, Harpham MR, Stickrath AB, Zhang X, Stoddart JF, Coskun A, Jakubikova E, Chen LX. Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices. Journal of the American Chemical Society. PMID 26154849 DOI: 10.1021/jacs.5b04612  1
2015 Jakubikova E, Bowman DN. Fe(II)-Polypyridines as Chromophores in Dye-Sensitized Solar Cells: A Computational Perspective. Accounts of Chemical Research. 48: 1441-9. PMID 25919490 DOI: 10.1021/ar500428t  1
2015 Bowman DN, Mukherjee S, Barnes LJ, Jakubikova E. Linker dependence of interfacial electron transfer rates in Fe(II)-polypyridine sensitized solar cells. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 27: 134205. PMID 25767105 DOI: 10.1088/0953-8984/27/13/134205  1
2015 Mukherjee S, Bowman DN, Jakubikova E. Cyclometalated Fe(II) complexes as sensitizers in dye-sensitized solar cells. Inorganic Chemistry. 54: 560-9. PMID 25531506 DOI: 10.1021/ic502438g  1
2015 Bowman DN, Chan J, Jakubikova E. Investigating Interfacial Electron Transfer in Highly Efficient Porphyrin-Sensitized Solar Cells Acs Symposium Series. 1196: 169-188. DOI: 10.1021/bk-2015-1196.ch008  1
2014 Nance J, Jakubikova E, Kelley CT. Reaction Path Following with Sparse Interpolation. Journal of Chemical Theory and Computation. 10: 2942-9. PMID 26588269 DOI: 10.1021/ct5004669  1
2014 Shrestha K, González-Delgado JM, Blew JH, Jakubikova E. Electronic structure of covalently linked zinc bacteriochlorin molecular arrays: insights into molecular design for NIR light harvesting. The Journal of Physical Chemistry. A. 118: 9901-13. PMID 25237715 DOI: 10.1021/jp507749c  1
2013 Tsuchiya T, Shrestha K, Jakubikova E. Orbital Analysis and Excited-State Calculations in an Energy-Based Fragmentation Method. Journal of Chemical Theory and Computation. 9: 3350-63. PMID 26584092 DOI: 10.1021/ct400025a  1
2013 Seaman LA, Pedrick EA, Tsuchiya T, Wu G, Jakubikova E, Hayton TW. Comparison of the reactivity of 2-Li-C6H4CH2NMe2 with MCl4 (M=Th, U): isolation of a thorium aryl complex or a uranium benzyne complex. Angewandte Chemie (International Ed. in English). 52: 10589-92. PMID 23943560 DOI: 10.1002/anie.201303992  1
2013 Bowman DN, Blew JH, Tsuchiya T, Jakubikova E. Elucidating band-selective sensitization in iron(II) polypyridine-TiO2 assemblies. Inorganic Chemistry. 52: 8621-8. PMID 23837840 DOI: 10.1021/ic4007839  1
2012 Tsuchiya T, Jakubikova E. Role of noncoplanar conformation in facilitating ground state hole transfer in oxidized porphyrin dyads. The Journal of Physical Chemistry. A. 116: 10107-14. PMID 22963143 DOI: 10.1021/jp307285z  1
2012 Bowman DN, Jakubikova E. Low-spin versus high-spin ground state in pseudo-octahedral iron complexes. Inorganic Chemistry. 51: 6011-9. PMID 22621403 DOI: 10.1021/ic202344w  1
2011 Jakubikova E, Campbell IH, Martin RL. Effects of peripheral and axial substitutions on electronic transitions of tin naphthalocyanines. The Journal of Physical Chemistry. A. 115: 9265-72. PMID 21800923 DOI: 10.1021/jp205705e  1
2011 Jakubikova E. Fe(II)-polypyridine complexes as photosensitizers in molecular assemblies for solar energy conversion Acs National Meeting Book of Abstracts 1
2010 Jakubikova E, Martin RL, Batista ER. Systematic study of modifications to ruthenium(II) polypyridine dyads for electron injection enhancement. Inorganic Chemistry. 49: 2975-82. PMID 20141117 DOI: 10.1021/ic902504y  1
2010 Jakubikova E, Martin RL. Computational study of naphthalocyanine chromophores for infrared solar cells Acs National Meeting Book of Abstracts 1
2009 Jakubikova E, Chen W, Dattelbaum DM, Rein FN, Rocha RC, Martin RL, Batista ER. Electronic structure and spectroscopy of [Ru(tpy)(2)](2+), [Ru(tpy)(bpy)(H(2)O)](2+), and [Ru(tpy)(bpy)(Cl)](+). Inorganic Chemistry. 48: 10720-5. PMID 19842666 DOI: 10.1021/ic901477m  1
2009 Jakubikova E, Snoeberger RC, Batista VS, Martin RL, Batista ER. Interfacial electron transfer in TiO(2) surfaces sensitized with Ru(II)-polypyridine complexes. The Journal of Physical Chemistry. A. 113: 12532-40. PMID 19594155 DOI: 10.1021/jp903966n  1
2009 Roy LE, Jakubikova E, Guthrie MG, Batista ER. Calculation of one-electron redox potentials revisited. Is it possible to calculate accurate potentials with density functional methods? The Journal of Physical Chemistry. A. 113: 6745-50. PMID 19459608 DOI: 10.1021/jp811388w  1
2008 He SG, Xie Y, Dong F, Heinbuch S, Jakubikova E, Rocca JJ, Bernstein ER. Reactions of sulfur dioxide with neutral vanadium oxide clusters in the gas phase. II. Experimental study employing single-photon ionization. The Journal of Physical Chemistry. A. 112: 11067-77. PMID 18844333 DOI: 10.1021/jp805744g  1
2007 Jakubikova E, Bernstein ER. Reactions of sulfur dioxide with neutral vanadium oxide clusters in the gas phase. I. Density functional theory study. The Journal of Physical Chemistry. A. 111: 13339-46. PMID 18052353 DOI: 10.1021/jp076439w  1
2007 Jakubikova E, Rappé AK, Bernstein ER. Density functional theory study of small vanadium oxide clusters. The Journal of Physical Chemistry. A. 111: 12938-43. PMID 18004823 DOI: 10.1021/jp0745844  1
2006 Jakubikova E, Rappé AK, Bernstein ER. Exploration of basis set issues for calculation of intermolecular interactions. The Journal of Physical Chemistry. A. 110: 9529-41. PMID 16884185 DOI: 10.1021/jp0680239  1
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