Elena Jakubikova

Pauly, M., White, E., Deegbey, M., Fosu, E. A., Keller, L., Mcguigan, S., … Maggard, P. A. (2024, March 21). Coordination of copper within a crystalline carbon nitride and its catalytic reduction of CO<sub>2</sub>. DALTON TRANSACTIONS, Vol. 3. https://doi.org/10.1039/d4dt00359d

May, A. M., Deegbey, M., Edme, K., Lee, K. J., Perutz, R. N., Jakubikova, E., & Dempsey, J. L. (2024). Electronic Structure and Photophysics of Low Spin d<SUP>5</SUP> Metallocenes. INORGANIC CHEMISTRY, 63(4), 1858–1866. https://doi.org/10.1021/acs.inorgchem.3c03451

Kwon, H.-Y., Curtin, G. M. M., Morrow, Z., Kelley, C. T., & Jakubikova, E. (2023, April 5). Adaptive basis sets for practical quantum computing. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Vol. 4. https://doi.org/10.1002/qua.27123

Johnson, C. E., Schwarz, J., Deegbey, M., Prakash, O., Sharma, K., Huang, P., … Lomoth, R. (2023, August 29). Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited. CHEMICAL SCIENCE, Vol. 8. https://doi.org/10.1039/d3sc02806

Johnson, C. E., Schwarz, J., Deegbey, M., Prakash, O., Sharma, K., Huang, P., … Lomoth, R. (2023). Ferrous and ferric complexes with cyclometalating N-heterocyclic carbene ligands: a case of dual emission revisited. CHEMICAL SCIENCE, 14(37), 10129–10139. https://doi.org/10.1039/d3sc02806b

Rodriguez, T. M., Deegbey, M., Chen, C.-H., Jakubikova, E., & Dempsey, J. L. (2023, January 18). Isocyanide Ligands Promote Ligand-to-Metal Charge Transfer Excited States in a Rhenium(II) Complex. INORGANIC CHEMISTRY, Vol. 1. https://doi.org/10.1021/acs.inorgchem.2c03193

Johnsen, W. D., Deegbey, M., Grills, D. C., Polyansky, D. E., Goldberg, K. I., Jakubikova, E., & Mallouk, T. E. (2023). Lewis Acids and Electron-Withdrawing Ligands Accelerate CO Coordination to Dinuclear Cu-I Compounds. INORGANIC CHEMISTRY, 62(23), 9146–9157. https://doi.org/10.1021/acs.inorgchem.3c01003

Lee, A., Son, M., Deegbey, M., Woodhouse, M. D., Hart, S. M., Beissel, H. F., … Schlau-Cohen, G. S. (2023). Observation of parallel intersystem crossing and charge transfer-state dynamics in [Fe(bpy)<sub>3</sub>]<SUP>2+</SUP> from ultrafast 2D electronic spectroscopy. CHEMICAL SCIENCE, 14(45), 13140–13150. https://doi.org/10.1039/d3sc02613b

Amunugama, S., Asempa, E., Jakubikova, E., & Verani, C. N. (2023, August 10). Probing the effect of nitro-substituents in the modulation of LUMO energies for directional electron transport through 4d(6) ruthenium(ii)-based metallosurfactants. DALTON TRANSACTIONS, Vol. 8. https://doi.org/10.1039/d3dt01797d

Ghosh, M., Braley, S. E., Ezhov, R., Worster, H., Valdez-Moreira, J. A., Losovyj, Y., … Smith, J. M. (2022, September 26). A Spectroscopically Observed Iron Nitrosyl Intermediate in the Reduction of Nitrate by a Surface-Conjugated Electrocatalyst. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol. 9. https://doi.org/10.1021/jacs.2c03487

Braley, S. E., Kwon, H.-Y., Xu, S., Dalton, E. Z., Jakubikova, E., & Smith, J. M. (2022, August 10). Buffer Assists Electrocatalytic Nitrite Reduction by a Cobalt Macrocycle Complex. INORGANIC CHEMISTRY, Vol. 8. https://doi.org/10.1021/acs.inorgchem.2c00909

Amunugama, S., Asempa, E., Tripathi, R. C., Wanniarachchi, D., Baydoun, H., Hoffmann, P., … Verani, C. N. (2022, May 17). Electron transport through a (terpyridine) ruthenium metallo-surfactant containing a redox-active aminocatechol derivative. DALTON TRANSACTIONS, Vol. 5. https://doi.org/10.1039/d2dt00938b

Curtin, G. M., & Jakubikova, E. (2022, November 11). Extended pi-Conjugated Ligands Tune Excited-State Energies of Iron(II) Polypyridine Dyes. INORGANIC CHEMISTRY, Vol. 11. https://doi.org/10.1021/acs.inorgchem.2c02362

Turner, E. E., Breen, D. J., Kosgei, G., Crandall, L. A., Curtin, G. M., Jakubikova, E., … Rack, J. J. (2022, November 14). Manipulating Excited State Properties of Iridium Phenylpyridine Complexes with ?Push-Pull? Substituents. INORGANIC CHEMISTRY, Vol. 11. https://doi.org/10.1021/acs.inorgchem.2c02269

Marshburn, R. D., Ashley, D. C., Curtin, G. M., Sultana, N., Liu, C., Vinueza, N. R., … Jakubikova, E. (2021, August 30). Are all charge-transfer parameters created equally? A study of functional dependence and excited-state charge-transfer quantification across two dye families. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 8. https://doi.org/10.1039/d1cp03383b

Morrow, Z., Kwon, H.-Y., Kelley, C. T., & Jakubikova, E. (2021). Efficient Approximation of Potential Energy Surfaces with Mixed-Basis Interpolation. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17(9), 5673–5683. https://doi.org/10.1021/acs.jctc.1c00569

Kwon, H.-Y., Braley, S. E., Madriaga, J. P., Smith, J. M., & Jakubikova, E. (2021, August 11). Electrocatalytic nitrate reduction with Co-based catalysts: comparison of DIM, TIM and cyclam ligands. DALTON TRANSACTIONS, Vol. 8. https://doi.org/10.1039/d1dt02175c

Braley, S. E., Ashley, D. C., Kulesa, K. M., Jakubikova, E., & Smith, J. M. (2021, May 2). Electrode-adsorption activates trans-[Cr(cyclam)Cl-2](+) for electrocatalytic nitrate reduction (vol 56, pg 603, 2020). CHEMICAL COMMUNICATIONS, Vol. 57, pp. 4332–4332. https://doi.org/10.1039/d1cc90148f

Vittardi, S. B., Magar, R. T., Schrage, B. R., Ziegler, C. J., Jakubikova, E., & Rack, J. J. (2021). Evidence for a lowest energy 3MLCT excited state in [Fe(tpy)(CN)3]−. Chemical Communications, 57(38), 4658–4661. https://doi.org/10.1039/d1cc01090e

Kwon, H.-Y., Ashley, D. C., & Jakubikova, E. (2021, September 10). Halogenation affects driving forces, reorganization energies and "rocking" motions in strained [Fe(tpy)(2)](2+) complexes. DALTON TRANSACTIONS, Vol. 9. https://doi.org/10.1039/d1dt02314d

Kwon, H.-Y., Morrow, Z., Kelley, C. T., & Jakubikova, E. (2021). Interpolation Methods for Molecular Potential Energy Surface Construction. JOURNAL OF PHYSICAL CHEMISTRY A, 125(45), 9725–9735. https://doi.org/10.1021/acs.jpca.1c06812

Morrow, Z., Kwon, H.-Y., Kelley, C. T., & Jakubikova, E. (2021, August 19). Reduced-dimensional surface hopping with offline-online computations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, Vol. 8. https://doi.org/10.1039/d1cp03446d

Shaikh, S. M., Ilic, S., Gibbons, B. J., Yang, X., Jakubikova, E., & Morris, A. J. (2021). Role of a 3D Structure in Energy Transfer in Mixed-Ligand Metal-Organic Frameworks. JOURNAL OF PHYSICAL CHEMISTRY C, 125(42), 22998–23010. https://doi.org/10.1021/acs.jpcc.1c06427

Rodriguez, T. M., Deegbey, M., Jakubikova, E., & Dempsey, J. L. (2021, July 14). The ligand-to-metal charge transfer excited state of [Re(dmpe)(3)](2+). PHOTOSYNTHESIS RESEARCH, Vol. 7. https://doi.org/10.1007/s11120-021-00859-7

Braley, S. E., Ashley, D. C., Jakubikova, E., & Smith, J. M. (2020). Electrode-adsorption activates trans-[Cr(cyclam)Cl-2](+) for electrocatalytic nitrate reduction. CHEMICAL COMMUNICATIONS, 56(4), 603–606. https://doi.org/10.1039/c9cc08550e

Tichnell, C. R., Miller, J. N., Liu, C., Mukherjee, S., Jakubikova, E., & McCusker, J. K. (2020). Influence of Electrolyte Composition on Ultrafast Interfacial Electron Transfer in Fe-Sensitized TiO2-Based Solar Cells. JOURNAL OF PHYSICAL CHEMISTRY C, 124(3), 1794–1811. https://doi.org/10.1021/acs.jpcc.9b09404

Liu, C., Batista, E. R., Aguirre, N. F., Yang, P., Cawkwell, M. J., & Jakubikova, E. (2020). SCC-DFTB Parameters for Fe-C Interactions. JOURNAL OF PHYSICAL CHEMISTRY A, 124(46), 9674–9682. https://doi.org/10.1021/acs.jpca.0c08202

Labrum, N. S., Curtin, G. M., Jakubikova, E., & Caulton, K. G. (2020). The Influence of Nucleophilic and Redox Pincer Character as well as Alkali Metals on the Capture of Oxygen Substrates: The Case of Chromium(II). CHEMISTRY-A EUROPEAN JOURNAL, 26(43), 9547–9555. https://doi.org/10.1002/chem.202000457

Morrow, Z., Liu, C., Kelley, C. T., & Jakubikova, E. (2019). Approximating Periodic Potential Energy Surfaces with Sparse Trigonometric Interpolation. The Journal of Physical Chemistry B, 123(45), 9677–9684. https://doi.org/10.1021/acs.jpcb.9b08210

Ashley, D. C., Mukherjee, S., & Jakubikova, E. (2019). Designing air-stable cyclometalated Fe(II) complexes: stabilization via electrostatic effects. Dalton Transactions, 48(2), 374–378. https://doi.org/10.1039/c8dt04402c

Xu, S., Kwon, H.-Y., Ashley, D. C., Chen, C.-H., Jakubikova, E., & Smith, J. M. (2019). Intramolecular Hydrogen Bonding Facilitates Electrocatalytic Reduction of Nitrite in Aqueous Solutions. INORGANIC CHEMISTRY, 58(14), 9443–9451. https://doi.org/10.1021/acs.inorgchem.9b01274

Datko, B. D., Livshits, M., Zhang, Z., Qin, Y., Jakubikova, E., Rack, J. J., & Grey, J. K. (2019). Large Excited-State Conformational Displacements Expedite Triplet Formation in a Small Conjugated Oligomer. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 10(6), 1259–1263. https://doi.org/10.1021/acs.jpclett.9b00495

Liu, C., Kelley, C. T., & Jakubikova, E. (2019). Molecular Dynamics Simulations on Relaxed Reduced-Dimensional Potential Energy Surfaces. The Journal of Physical Chemistry A, 123(21), 4543–4554. https://doi.org/10.1021/acs.jpca.9b02298

Ashley, D. C., & Jakubikova, E. (2019). Predicting the electrochemical behavior of Fe(II) complexes from ligand orbital energies. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 376, 7–11. https://doi.org/10.1016/j.jphotochem.2019.01.026

Britz, A., Gawelda, W., Assefa, T. A., Jamula, L. L., Yarranton, J. T., Galler, A., … McCusker, J. K. (2019). Using Ultrafast X-ray Spectroscopy To Address Questions in Ligand-Field Theory: The Excited State Spin and Structure of [Fe(dcpp)(2)](2+). INORGANIC CHEMISTRY, 58(14), 9341–9350. https://doi.org/10.1021/acs.inorgchem.9b01063

Xu, S., Ashley, D. C., Kwon, H.-Y., Ware, G. R., Chen, C.-H., Losovyj, Y., … Smith, J. M. (2018). A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex. CHEMICAL SCIENCE, 9(22), 4950–4958. https://doi.org/10.1039/c8sc00721g

Mukherjee, S., Liu, C., & Jakubikova, E. (2018). Comparison of Interfacial Electron Transfer Efficiency in [Fe(ctpy)(2)](2+)-TiO2 and [Fe(cCNC)(2)](2+)-TiO2 Assemblies: Importance of Conformational Sampling. JOURNAL OF PHYSICAL CHEMISTRY A, 122(7), 1821–1830. https://doi.org/10.1021/acs.jpca.7b10932

Deaton, J. C., Taliaferro, C. M., Pitman, C. L., Czerwieniec, R., Jakubikova, E., Miller, A. J. M., & Castellano, F. N. (2018). Excited-State Switching between Ligand-Centered and Charge Transfer Modulated by Metal–Carbon Bonds in Cyclopentadienyl Iridium Complexes. Inorganic Chemistry, 57(24), 15445–15461. https://doi.org/10.1021/acs.inorgchem.8b02753

Ashley, D. C., & Jakubikova, E. (2018). Ray-Dutt and Bailar Twists in Fe(II)-Tris(2,2'-bipyridine): Spin States, Sterics, and Fe-N Bond Strengths. INORGANIC CHEMISTRY, 57(9), 5585–5596. https://doi.org/10.1021/acs.inorgchem.8b00560

Ashley, D. C., & Jakubikova, E. (2018). Tuning the Redox Potentials and Ligand Field Strength of Fe(II) Polypyridines: The Dual pi-Donor and pi-Acceptor Character of Bipyridine. INORGANIC CHEMISTRY, 57(16), 9907–9917. https://doi.org/10.1021/acs.inorgchem.8b01002

Mukherjee, S., Torres, D. E., & Jakubikova, E. (2017). HOMO inversion as a strategy for improving the light-absorption properties of Fe(II) chromophores. CHEMICAL SCIENCE, 8(12), 8115–8126. https://doi.org/10.1039/c7sc02926h

Ashley, D. C., & Jakubikova, E. (2017). [Review of Ironing out the photochemical and spin-crossover behavior of Fe(II) coordination compounds with computational chemistry]. COORDINATION CHEMISTRY REVIEWS, 337, 97–111. https://doi.org/10.1016/j.ccr.2017.02.005

Liu, C., & Jakubikova, E. (2017). Two-step model for ultrafast interfacial electron transfer: limitations of Fermi's golden rule revealed by quantum dynamics simulations. CHEMICAL SCIENCE, 8(9), 5979–5991. https://doi.org/10.1039/c7sc01169e

Shrestha, K., Virgil, K. A., & Jakubikova, E. (2016). Electronic Absorption Spectra of Tetrapyrrole-Based Pigments via TD-DFT: A Reduced Orbital Space Study. JOURNAL OF PHYSICAL CHEMISTRY A, 120(29), 5816–5825. https://doi.org/10.1021/acs.jpca.6b04797

Frasco, D. A., Mukherjee, S., Sommer, R. D., Perry, C. M., Lambic, N. S., Abboud, K. A., … Ison, E. A. (2016). Nondirected C-H Activation of Arenes with Cp*Ir(III) Acetate Complexes: An Experimental and Computational Study. ORGANOMETALLICS, 35(15), 2435–2445. https://doi.org/10.1021/acs.organomet.6b00308

High, J. S., Rego, L. G. C., & Jakubikova, E. (2016). Quantum Dynamics Simulations of Excited State Energy Transfer in a Zinc-Free-Base Porphyrin Dyad. JOURNAL OF PHYSICAL CHEMISTRY A, 120(41), 8075–8084. https://doi.org/10.1021/acs.jpca.6b05739

Mukherjee, S., Bowman, D. N., & Jakubikova, E. (2015). Cyclometalated Fe(II) Complexes as Sensitizers in Dye-Sensitized Solar Cells. INORGANIC CHEMISTRY, 54(2), 560–569. https://doi.org/10.1021/ic502438g

Mara, M. W., Bowman, D. N., Buyukcakir, O., Shelby, M. L., Haldrup, K., Huang, J., … Chen, L. X. (2015). Electron Injection from Copper Diimine Sensitizers into TiO2: Structural Effects and Their Implications for Solar Energy Conversion Devices. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 137(30), 9670–9684. https://doi.org/10.1021/jacs.5b04612

High, J. S., Virgil, K. K., & Jakubikova, E. (2015). Electronic Structure and Absorption Properties of Strongly Coupled Porphyrin-Perylene Arrays. JOURNAL OF PHYSICAL CHEMISTRY A, 119(38), 9879–9888. https://doi.org/10.1021/acs.jpca.5b05600

Jakubikova, E., & Bowman, D. N. (2015). [Review of Fe(II)-Polypyridines as Chromophores in Dye-Sensitized Solar Cells: A Computational Perspective]. ACCOUNTS OF CHEMICAL RESEARCH, 48(5), 1441–1449. https://doi.org/10.1021/ar500428t

Shrestha, K., & Jakubikova, E. (2015). Ground-State Electronic Structure of RC-LH1 and LH2 Pigment Assemblies of Purple Bacteria via the EBF-MO Method. JOURNAL OF PHYSICAL CHEMISTRY A, 119(33), 8934–8943. https://doi.org/10.1021/acs.jpca.5b05644

Nance, J., Bowman, D. N., Mukherjee, S., Kelley, C. T., & Jakubikova, E. (2015). Insights into the Spin-State Transitions in [Fe(tpy)2]2+: Importance of the Terpyridine Rocking Motion. Inorganic Chemistry, 54(23), 11259–11268. https://doi.org/10.1021/acs.inorgchem.5b01747

Bowman, D. N., Chan, J., & Jakubikova, E. (2015). Investigating Interfacial Electron Transfer in Highly Efficient Porphyrin-Sensitized Solar Cells. In ACS Symposium Series: Vol. 1196. Photoinduced Processes at Surfaces and in Nanomaterials (pp. 168–188). https://doi.org/10.1021/bk-2015-1196.ch008

Bowman, D. N., Chan, J., & Jakubikova, E. (2015). Investigating interfacial electron transfer in highly efficient porphyrin-sensitized solar cells. Photoinduced Processes at Surfaces and in Nanomaterials, 1196, 169–188.

Bowman, D. N., Mukherjee, S., Barnes, L. J., & Jakubikova, E. (2015). Linker dependence of interfacial electron transfer rates in Fe(II)-polypyridine sensitized solar cells. Journal of Physics: Condensed Matter, 27(13), 134205. https://doi.org/10.1088/0953-8984/27/13/134205

Bowman, D. N., Bondarev, A., Mukherjee, S., & Jakubikova, E. (2015). Tuning the Electronic Structure of Fe(II) Polypyridines via Donor Atom and Ligand Scaffold Modifications: A Computational Study. INORGANIC CHEMISTRY, 54(17), 8786–8793. https://doi.org/10.1021/acs.inorgchem.5b01409

Shrestha, K., Gonzalez-Delgado, J. M., Blew, J. H., & Jakubikova, E. (2014). Electronic Structure of Covalently Linked Zinc Bacteriochlorin Molecular Arrays: Insights into Molecular Design for NIR Light Harvesting. JOURNAL OF PHYSICAL CHEMISTRY A, 118(42), 9901–9913. https://doi.org/10.1021/jp507749c

Nance, J., Jakubikova, E., & Kelley, C. T. (2014). Reaction Path Following with Sparse Interpolation. Journal of Chemical Theory and Computation, 10(8), 2942–2949. https://doi.org/10.1021/ct5004669

Seaman, L. A., Pedrick, E. A., Tsuchiya, T., Wu, G., Jakubikova, E., & Hayton, T. W. (2013). 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 EDITION, 52(40), 10589–10592. https://doi.org/10.1002/anie.201303992

Bowman, D. N., Blew, J. H., Tsuchiya, T., & Jakubikova, E. (2013). Correction to Elucidating Band-Selective Sensitization in Iron(II) Polypyridine-TiO2 Assemblies. Inorganic Chemistry, 52(24), 14449–14449. https://doi.org/10.1021/IC402856J

Bowman, D. N., Blew, J. H., Tsuchiya, T., & Jakubikova, E. (2013). Elucidating Band-Selective Sensitization in Iron(II) Polypyridine-TiO2 Assemblies. INORGANIC CHEMISTRY, 52(15), 8621–8628. https://doi.org/10.1021/ic4007839

Tsuchiya, T., Shrestha, K., & Jakubikova, E. (2013). Orbital Analysis and Excited-State Calculations in an Energy-Based Fragmentation Method. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9(8), 3350–3363. https://doi.org/10.1021/ct400025a

Bowman, D. N., & Jakubikova, E. (2012). Low-Spin versus High-Spin Ground State in Pseudo-Octahedral Iron Complexes. INORGANIC CHEMISTRY, 51(11), 6011–6019. https://doi.org/10.1021/ic202344w

Tsuchiya, T., & Jakubikova, E. (2012). Role of Noncoplanar Conformation in Facilitating Ground State Hole Transfer in Oxidized Porphyrin Dyads. JOURNAL OF PHYSICAL CHEMISTRY A, 116(41), 10107–10114. https://doi.org/10.1021/jp307285z

Jakubikova, E., Campbell, I. H., & Martin, R. L. (2011). Effects of Peripheral and Axial Substitutions on Electronic Transitions of Tin Naphthalocyanines. JOURNAL OF PHYSICAL CHEMISTRY A, 115(33), 9265–9272. https://doi.org/10.1021/jp205705e

Jakubikova, E., Martin, R. L., & Batista, E. R. (2010). Systematic Study of Modifications to Ruthenium(II) Polypyridine Dyads for Electron Injection Enhancement. Inorganic Chemistry, 49(6), 2975–2982. https://doi.org/10.1021/ic902504y

Roy, L. E., Jakubikova, E., Guthrie, M. G., & Batista, E. R. (2009). 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(24), 6745–6750. https://doi.org/10.1021/jp811388w

Jakubikova, E., Chen, W., Dattelbaum, D. M., Rein, F. N., Rocha, R. C., Martin, R. L., & Batista, E. R. (2009). Electronic Structure and Spectroscopy of [Ru(tpy)2]2+, [Ru(tpy)(bpy)(H2O)]2+, and [Ru(tpy)(bpy)(Cl)]+. Inorganic Chemistry, 48(22), 10720–10725. https://doi.org/10.1021/ic901477m

Jakubikova, E., Snoeberger, R. C., III, Batista, V. S., Martin, R. L., & Batista, E. R. (2009). Interfacial Electron Transfer in TiO2 Surfaces Sensitized with Ru(II)−Polypyridine Complexes. The Journal of Physical Chemistry A, 113(45), 12532–12540. https://doi.org/10.1021/jp903966n

He, S.-G., Xie, Y., Dong, F., Heinbuch, S., Jakubikova, E., Rocca, J. J., & Bernstein, E. R. (2008). 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(44), 11067–11077. https://doi.org/10.1021/jp805744g

Jakubikova, E., Rappé, A. K., & Bernstein, E. R. (2007). Density Functional Theory Study of Small Vanadium Oxide Clusters†. The Journal of Physical Chemistry A, 111(50), 12938–12943. https://doi.org/10.1021/jp0745844

Jakubikova, E., & Bernstein, E. R. (2007). 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(51), 13339–13346. https://doi.org/10.1021/jp076439w

Jakubikova, E., Rappé, A. K., & Bernstein, E. R. (2006). Exploration of Basis Set Issues for Calculation of Intermolecular Interactions. The Journal of Physical Chemistry A, 110(31), 9529–9541. https://doi.org/10.1021/jp0680239

Babinec, P., Jakubı́ková Elena, & Leszczynski, J. (2004). Erratum to: “Recurrence plot analysis of nonlinear vibrational dynamics in H3+ molecule” [Chaos, Solitons and Fractals 17 (5) (2003) 981–984]. Chaos, Solitons & Fractals, 21(2), 513–514. https://doi.org/10.1016/j.chaos.2003.12.002

Babinec, P., Jakubíková, E., & Leszczynski, J. (2000). Transition from Regular to Stochastic Vibrational Motion in H+3 Molecule: An ab initio Classical Trajectory Study. Zeitschrift Für Naturforschung A, 55(3-4), 478–480. https://doi.org/10.1515/zna-2000-3-417