2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 – …
2023
[124] M. Yan, Y. Jin, E. Voloshina, Y. Dedkov, “Electronic correlations in FexNiyPS3 van der Waals materials: Insights from angle-resolved photoelectron spectroscopy and DFT”, J. Phys. Chem. Lett. 14, 9774(2023).
Link
[123] N. Y. Suss, E. M. Heppke, E. Voloshina, L. Schifferle, S. S. Lobanov, S. Speziale, H. J. Reichmann, T. Küllmey, B. Paulus, M. Lerch, and I. Efthimiopoulos, “Comparative high-pressure investigations of Ag2ZnSnS4 and Ag2CdSnS4 compounds”, AIP Adv. 13, 105128 (2023).
Link
[122] Y. Dedkov, Y. Guo, and E. Voloshina, “Progress in the studies of electronic and magnetic properties of layered MPX3 materials (M: transition metal, X: chalcogen)”, Electron. Struct. 5, 043001 (2023).
☆ Topical Review
Link
[121] Y. Guo, H. M. Zeeshan, M. Yan, W. Qin, W. Yang, S. Cao, Y. Dedkov, E. Voloshina, “Structure and electronic properties of SrTiO3-TiO2 eutectic for water splitting applications”, Adv. Energy Sustainability Res. 4, 202300136 (2023).
Link
[120] J. Dai, K. Wang, E. Voloshina, Y. Dedkov, and B. Paulus, “Probing active sites on pristine and defective MnPX3 (X: S, Se) monolayers for electrocatalytic water splitting”, ACS Omega (2023).
Link
[119] Y. Dedkov, J. Zhou, Y. Guo, E. Voloshina, “Easy approach to graphene growth on Ir(111) and Ru(0001) from liquid ethanol”, Adv. Mater. Interfaces 10, 02300468 (2023).
☆ This article also appears in Hot Topic: Carbon, Graphite, and Graphene
Link
[118] Y. Dedkov, J. Yang, H. Hu, Y. Jin, M. Yan, Y. Jin, J. Zhou, E. Voloshina, “Realization of the new graphene-ferromagnet interface with Dirac linear bands dispersion”, ACS Appl. Mater. Interfaces 15, 26190 (2023).
Link
[117] E. Voloshina, Y. Jin, and Y. Dedkov, “ARPES studies of the ground state electronic properties of the van der Waals transition metal trichalcogenide CoPS3“, Chem. Phys. Lett. (2023).
Link
[116] K. Li, M. Yan, Y. Jin, Y. Jin, Y. Guo, E. Voloshina, and Y. Dedkov, “Dual character of the insulating state in the van der Waals Fe1-xNixPS3 alloyed compounds”, J. Phys. Chem. Lett. 14, 57 (2023).
Link
[115] S. Sharma, H. M. Zeeshan, M. Panahi, Y. Jin, M. Yan, Y. Jin, K. Li, P. Zeller, A. Efimenko, A. Makarova, D. Smirnov, B. Paulus, E. Voloshina, and Y. Dedkov, “Stability of van der Waals FePX3 materials (X: S, Se) for water-splitting applications”, 2D Mater. 10, 014008 (2023).
☆ Special Issue: 2D Materials for Energy Storage and Conversion
Link
2022
[114] Y. Jin, Y. Jin, K. Li, M. Yan, Y. Guo, Y. Zhou, A. Preobrajenski, Y. Dedkov, and E. Voloshina, “Mixed insulating state for van der Waals CoPS3“, J. Phys. Chem. Lett. 13, 10486 (2022).
Link
[113] H. M. Zeeshan, S. Sharma, M. Panahi, E. Voloshina, and Y. Dedkov, “Semiconducting eutectic materials for photocatalysis and photoelectrochemistry applications: A perspective”, Phys. Chem. Chem. Phys. 24, 25720 (2022).
☆ Invited Perspective Article
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[112] Y. Jin, M. Yan, Y. Jin, K. Li, Y. Dedkov, and E. Voloshina, “To the stability of Janus phases in layered trichalcogenide MPX3 crystals: Insights from experiments and theory”, J. Phys. Chem. C 126, 16061 (2022).
Link
[111] B. F. Gomes, M. Prokop, T. Bystron, R. Loukrakpam, J. Melke, C. M. S. Lobo, M. Fink, M. Zhu, E. Voloshina, M. Kutter, H. Hoffmann, K. V. Yusenko, A. G. Buzanich, B. Röder, K. Bouzek, Beate Paulus, C. Roth, “Following adsorbed intermediates on a platinum gas diffusion electrode in H3PO3 containing electrolytes using in situ x-ray absorption spectroscopy”, ACS Catal. 12, 11472 (2022).
Link
[110] Q. Guo, R. Ovcharenko, B. Paulus, Y. Dedkov, and E. Voloshina, “Electronic and magnetic properties of the graphene/RE/Ni(111) (RE: La, Yb) intercalation-like interfaces: A DFT analysis”, Adv. Theory Simul. 5, 2100621 (2022).
☆ This article also appears in: Hot Topic: Carbon, Graphite, and Graphene
Link
[109] Y. Jin, M. Yan, Y. Dedkov, and E. Voloshina, “Realization of the electric-field driven “one-material”- based magnetic tunnel junction using van der Waals antiferromagnetic MnPX3 (X: S, Se)”, J. Mater. Chem. C (2022).
Link
[108] Y. Zhou, R. Ovcharenko, B. Paulus, Y. Dedkov, and E. Voloshina, “Modification of the magnetic and electronic properties of the graphene-Ni(111) interface via halogens intercalation”, Adv. Theory Simul. 5, 2100319 (2022).
☆ Special Issue: 5‐Years Anniversary of Advanced Theory and Simulations
Link
[107] Y. Jin, M. Yan, T. Kremer, E. Voloshina, and Y. Dedkov, “Mott-Hubbard insulating state for the layered van der Waals FePX3 (X: S, Se) as revealed by NEXAFS and resonant photoelectron spectroscopy”, Sci. Rep. 12, 735 (2022).
Link
2021
[106] D. F. Bekiş, T. Küllmey, M. R. Ghazanfari, R. Burda, E. Voloshina, C. A. von Randow, F. Fuß, M. Liesegang, B. Paulus, A.-C. Pöppler, and G. Thiele, “Ino-chloridolithates from ionothermal synthesis”, Inorg. Chem., accepted; DOI: 10.1021/acs.inorgchem.1c02943
Link
[105] M. Yan, Y. Jin, X. Hou, Y. Guo, A. Tsaturyan, A. Makarova, D. Smirnov, Yu. Dedkov, and E. Voloshina, “Topological quasi-2D semimetal Co3Sn2S2: Insights to electronic structure from NEXAFS and resonant photoelectron spectroscopy”, J. Phys. Chem. Lett. 12, 9807 (2021).
Link
[104] Z. Wu, S. Xu, Y. Zhou, Q. Guo, Yu. Dedkov, and E. Volosina, “Adsorption of water molecules on pristine and defective NiPX3 (X: S, Se) monolayers”, Adv. Theory. Simul. 4, 2100182 (2021).
Link
[103] A. Mehler, N. Néel, E. Voloshina, Yu. Dedkov, J. Kröger, “Second floor of flatland: Epitaxial growth of graphene on hexagonal boron nitride”, Small 17, 2102747 (2021).
☆ Cover page
Link
[102] K. Wang, T. Vincent, J. B. Bouhiron, S. Pons, D. Roditchev, S. Simon, M. Fonin, B. Paulus, Y. Dedkov, S. Vlaic, E. Voloshina, “Influence of surface and subsurface Co-Ir alloy on the electronic properties of graphene”, Carbon 183, 251 (2021).
Link
[101] S. Xu, Z. Wu, Yu. Dedkov, and E. Voloshina, “Adsorption of water on the pristine and defective semiconducting 2D CrPX3 monolayers (X: S, Se)”, J. Phys. Condens. Matter. 33, 354001 (2021).
☆ Part of the Special Issue on Nanoscale Processes on Semiconductor Surfaces
Link
[100] M. Yan, Y. Jin, Z. Wu, A. Tsaturyan, A. Makarova, D. Smirnov, E. Voloshina, and Yu. Dedkov, “Correlations in the electronic structure of van der Waals NiPS3 crystals: An x‐ray absorption and resonant photoelectron spectroscopy study”, J. Phys. Chem. Lett. 12, 2400 (2021).
Link
[99] E. Voloshina, B. Paulus, and Yu. Dedkov, “Graphene layer morphology as an indicator of the metal alloy formation at the interface”, J. Phys. Chem. Lett. 12, 19 (2021).
Link
2020
[98] Q. Guo, Yu. Dedkov, and E. Voloshina, “Intercalation of Mn in graphene/Cu(111) interface: insights to the electronic and magnetic properties from theory”, Sci. Rep. 10, 21684 (2020).
Link
[97] J. Yang, Y. Zhou, Yu. Dedkov, and E. Voloshina, “Dirac fermions in half-metallic ferromagnetic mixed Cr1-xMxPSe3 monolayers”, Adv. Theory Simul. 3, 2000228 (2020).
Link
[96] Yu. Dedkov, M. Yan, and E. Voloshina, “To the synthesis and characterization of layered metal phosphorus triselenides proposed for electrochemical sensing and energy applications”, Chem. Phys. Lett. 754, 137627 (2020).
Link
[95] Yu. Dedkov and E. Voloshina, “Epitaxial graphene/Ge interfaces: a minireview”, Nanoscale 12, 11416 (2020).
☆ Minireview
Link
[94] T. Vincent, E. Voloshina, S. Pons, S. Simon, M. Fonin, K. Wang, B. Paulus, D. Roditchev, Yu. Dedkov, S. Vlaic, “Quantum well states for graphene spin-texture engineering”, J. Phys. Chem. Lett. 11, 1594 (2020).
Link
[93] J. Yang, Y. Zhou, Q. Guo, Yu. Dedkov, E. Voloshina, “Electronic, magnetic and optical properties of MnPX3 (X = S, Se) monolayers with and without chalcogen defects: A first-principle study”, RSC Adv. 10, 851 (2020).
Link
2019
[92] N. F. Kleimeier, G. Wenzel, A. J. Urban, M. R. Tchalala, H. Oughaddou, Yu. Dedkov, E. Voloshina, and H. Zacharias, “Unoccupied electronic band structure of pentagonal Si nanoribbons on Ag(110)”, Phys. Chem. Chem. Phys. 21, 17811 (2019).
Link
[91] E. Voloshina and Yu. Dedkov, “Dirac-electron behavior for the spin-up electrons in the strongly interacting graphene on ferromagnetic Mn5Ge3“, J. Phys. Chem. Lett. 10, 3212 (2019).
Link
[90] C. Zhao, J. Li, J. Dai, E. Voloshina, Yu. Dedkov, Y. Cui, “Intercalation of O2 and N2 in the graphene/Ni interfaces of different morphology”, J. Phys. Chem. C 123, 16137 (2019).
☆ Cover page
Link
[89] E. Voloshina, Q. Guo, B. Paulus, S. Böttcher, H. Vita, K. Horn, C. Zhao, Y. Cui, and Yu. Dedkov, “Electronic structure and magnetic properties of the graphene/Ni3Mn/Ni(111) trilayer”, J. Phys. Chem. C 123, 4994 (2019).
Link
[88] L. Schöttner, R. Ovcharenko, A. Nefedov, E. Voloshina, Y. Wang, J. Sauer, C. Wöll, “Interaction of water molecules with the α-Fe2O3(0001) surface: A combined experimental and computational study”, J. Phys. Chem. C 123, 8324 (2019).
☆ This article is part of the Hans-Joachim Freund and Joachim Sauer Festschrift special issue
Link
2018
[87] E. N. Voloshina and Yu. S. Dedkov, “Realistic large-scale modeling of Rashba and induced spin-orbit effects in graphene/high-Z-metal systems”, Adv. Theory Simul. 1, 1800063 (2018)..
☆ Cover page
Link
[86] J. Tesch, F. Paschke, M. Fonin, M. Wietstruk, S. Boettcher, R. Koch, A. Bostwick, C. Jozwiak, E. Rotenberg, A. Makarova, B. Paulus, E. Voloshina, and Yu. Dedkov, “The graphene/n-Ge(110) interface: structure, doping, and electronic properties”, Nanoscale 10, 6088 (2018).
Link
[85] S. Simon, E. Voloshina, J. Tesch, F. Förschner, V. Enenkel, C. Herbig, T. Knispel, A. Tries, J. Kröger, Yu. Dedkov, and M. Fonin, “Layer-by-layer decoupling of twisted graphene sheets epitaxially grown on a metal substrate”, Small 14, 1703701 (2018).
Link
[84] E. N. Voloshina, “Hematite, its stable surface terminations and their reactivity toward water”, in: Encyclopedia of interfacial chemistry: Surface science and electrochemistry, edited by K. Wandelt (Elsevier, 2018)..
☆ Part of the Reference module in chemistry, molecular sciences and chemical engineering
Link
[83] Yu. S. Dedkov and E. N. Voloshina, “Graphene properties on metals”, in: Encyclopedia of interfacial chemistry: Surface science and electrochemistry, edited by K. Wandelt (Elsevier, 2018)..
☆ Part of the Reference module in chemistry, molecular sciences and chemical engineering
Link
2017
[82] Yu. S. Dedkov and E. N. Voloshina, Comment on “Spin–Orbit Coupling Induced Gap in Graphene on Pt(111) with Intercalated Pb Monolayer”, ACS Nano 11, 10627 (2017).
Link
[81] Yu. S. Dedkov and E. N. Voloshina, “Spectroscopic and DFT studies of graphene intercalation systems on metals”, J. Electron. Spectrosc. Relat. Phenom. 219, 77 (2017)..
☆ Special Issue: The electronic structure of 2D and layered materials
Link
[80] J. Tesch, E. Voloshina, M. Fonin, Y. Dedkov, “Growth and electronic structure of graphene on semiconducting Ge(110)”, Carbon 122, 428 (2017).
Link
[79] Yu. Dedkov, W. Klesse, A. Becker, F. Späth, Ch. Papp, E. Voloshina, “Decoupling of graphene from Ni(111) via formation of an interfacial NiO layer”, Carbon, 121, 10 (2017).
Link
[78] J. Tesch, E. Voloshina, M. Jubitz, Yu. Dedkov, and M. Fonin, “Local electronic properties of the graphene-protected giant Rashba-split BiAg2 surface”, Phys. Rev. B 95, 155428 (2017).
Link
2016
[77] R. Ovcharenko, E. Voloshina, and J. Sauer, “Water adsorption and O-defect formation on Fe2O3(0001) surfaces”, Phys. Chem. Chem. Phys. 18, 25560 (2016).
Link
[76] R. Ovcharenko, Yu. Dedkov, and E. Voloshina, “Adsorption of NO2 on WSe2: DFT and photoelectron spectroscopy studies”, J. Phys.: Condens. Matter 28, 364003 (2016).
☆ Special Issue: Interfaces and heterostructures of van der Waals materials
Link
[75] M. P. de Lara-Castells, R. Fernández-Perea, F. Madzharova, and E. Voloshina, “Post-Hartree-Fock studies of the He/Mg(0001) interaction: anti-corrugation, screening and pairwise additivity”, J. Chem. Phys. 144, 244707 (2016).
Link
[74] E. N. Voloshina and Yu. S. Dedkov, “Atomic force spectroscopy and density-functional study of graphene corrugation on Ru(0001)”, Phys. Rev. B 93, 235418 (2016).
Link
[73] A. A. Tonkikh, E. N. Voloshina, P. Werner, H. Blumtritt, B. Senkovskiy, G. Güntherodt, S. S. P. Parkin, and Yu. S. Dedkov, “Structural and electronic properties of epitaxial multilayer h-BN on Ni(111) for spintronics applications”, Sci. Rep. 6, 23547 (2016).
Link
[72] J. Tesch, P. Leicht, F. Blumenschein, L. Gragnaniello, M. Fonin, L. E. Marsoner Steinkasserer, B. Paulus, E. Voloshina, and Yu. Dedkov, “Structural and electronic properties of graphene nanoflakes on Au(111) and Ag(111)”, Sci. Rep. 6, 23439 (2016).
Link
[71] E. Voloshina, N. Berdunov, and Yu. Dedkov, “Restoring a nearly free-standing character of graphene on Ru(0001) by oxygen intercalation”, Sci. Rep. 6, 20285 (2016).
Link
2015
[70] Yu. S. Dedkov and E. N. Voloshina, “Graphene growth and properties on metal substrates”, J. Phys.: Condens. Matter 27, 303002 (2015)..
☆ Topical Review
Link
[69] Yu. S. Dedkov, E. N. Voloshina, and M. Fonin, “Scanning probe microscopy and spectroscopy of graphene on metals”, Phys. Status Solidi B 252, 451 (2015)..
☆ Feature Article.
☆ Cover page
Link
[68] D. Mollenhauer, C. Brieger, E. Voloshina, and B. Paulus, “Performance of dispersion-corrected DFT for the weak interaction between aromatic molecules and extended carbon-based systems”, J. Phys. Chem. C 119, 1898 (2015).
Link
2014
[67] P. Stojanov, E. Voloshina, Yu. S. Dedkov, S. Schmitt, T. Haenke, and A. Thissen, “Graphene on Rh(111): Combined DFT, STM, and NC-AFM Studies”, Procedia Engineering 93, 8 (2014).
Link
[66] M. P. de Lara-Castells, H. Stoll, B. Civalleri, M. Causà, Elena Voloshina, A. O. Mitrushchenkov, and M. Pi, “A combined periodic density functional and incremental wave-function-based approach for the dispersion-accounting time-resolved dynamics of 4He nano droplets on surfaces: 4He/graphene”, J. Chem. Phys. 141, 151102 (2014)..
☆ Communication
Link
[65] E. N. Voloshina and Yu. S. Dedkov, “General approach to understanding the electronic structure of graphene on metals”, Mater. Res. Express 1, 035603 (2014).
Link
[64] H. Vita, S. Boettcher, K. Horn, E. Voloshina, R. Ovcharenko, Th. Kampen, A. Thissen and Yu. S. Dedkov, “Understanding the origin of band gap formation in graphene on metals: graphene on Cu/Ir(111)”, Sci. Rep. 4, 5704 (2014).
Link
[63] E. N. Voloshina and Yu. S. Dedkov, “Electronic and magnetic properties of the graphene/Eu/Ni(111) hybrid system” Z. Naturforsch. 69a, 297 (2014)..
☆ Dedicated to Professor Jörg Fleischhauer on the occasion of his 75th birthday
Link
[62] S.Torabi, L. Hammerschmidt, E. Voloshina, and B. Paulus, “Ab initio investigation of ground-state properties of group-12 fluorides”, Int. J. Quantum Chem. 114, 943 (2014).
Link
[61] P. Leicht, L. Zielke, S. Bouvron, R. Moroni, E. Voloshina, L. Hammerschmidt, Yu. S. Dedkov, and M. Fonin: “In situ fabrication of quasi-free-standing epitaxial graphene nanoflakes on gold”, ACS Nano 8, 3735 (2014).
Link
[60] E. Voloshina and B. Paulus, “First multireference correlation treatment of bulk metals”, J. Chem. Theory Comput. 10, 1698 (2014).
Link
[59] L. E. Marsoner Steinkasserer, B. Paulus, and E. Voloshina, “Impact of the metal substrate on the electronic structure of armchair graphene nanoribbons”, Chem. Phys. Lett. 597, 148 (2014).
Link
[58] L. Bignardi, T. Haarlammert, C. Winter, M. Montagnese, P. H. M. van Loosdrecht, E. Voloshina, P. Rudolf, and H. Zacharias, “Dual character of excited charge carriers in graphene on Ni(111)”, Phys. Rev. B 89, 075405 (2014).
Link
[57] Yu. S. Dedkov and E. N. Voloshina: “Multichannel scanning probe microscopy and spectroscopy of graphene moiré structures”, Phys. Chem. Chem. Phys. 16, 3894 (2014)..
☆ Perspective
Link
[56] R. E. Ovcharenko, I. I. Tupitsyn, E. P. Savinov, E. N. Voloshina, Yu. S. Dedkov, A. S. Shulakov, “Calculation of the x-ray emission K and L2,3 bands of metallic magnesium and aluminum with allowance for multi-electron effects”, J. Exp. Theor. Phys. 118, 11 (2014).
Link
[55] E. Fertitta, E. Voloshina, and B. Paulus, “Adsorption of multivalent alkylthiols on Au(111) surface: Insights from DFT”, J. Comput. Chem. 35, 204 (2014).
Link
2013
[54] R. E. Ovcharenko, I. I. Tupitsyn, E. P. Savinov, E. N. Voloshina, Yu. S. Dedkov, B. Paulus, and A. S. Shulakov, “Specific many-electron effects in X-ray spectra of simple metals and graphene”, Phys. Chem. Chem. Phys. 15, 6749 (2013).
Link
[53] E. Voloshina, R. Ovcharenko, A. Shulakov, and Yu. S. Dedkov, “Theoretical description of X-ray absorption spectroscopy of the graphene-metal interfaces”, J. Chem. Phys. 138, 154706 (2013).
Link
[52] D. Mollenhauer, N. Gaston, E. Voloshina, and B. Paulus, “Interaction of pyridine derivatives with a gold (111) surface as a model for adsorption to large nanoparticles”, J. Phys. Chem. C 117, 4470 (2013).
Link
[51] E. N. Voloshina, E. Fertitta, A. Garhofer, F. Mittendorfer, M. Fonin, A. Thissen, and Yu. S. Dedkov, “Electronic structure and imaging contrast of graphene moire on metals”, Sci. Rep. 3, 1072 (2013).
Link
[50] A. V. Generalov, E. N. Voloshina, Yu. S. Dedkov, “Structural and electronic properties of graphene-based junctions for spin-filtering: The graphene/Al/Ni(111) intercalation-like system”, Appl. Surf. Sci. 267, 8 (2013).
Link
2012
[49] E. Voloshina and Yu. S. Dedkov, “Graphene on metallic surfaces: problems and perspectives”, Phys. Chem. Chem. Phys. 14, 13502 (2012)..
☆ Perspective
Link
[48] E. Voloshina, Yu. S. Dedkov, S. Torbrügge, A. Thissen, and M. Fonin, “Graphene on Rh(111): STM and AFM studies”, Appl. Phys. Lett. 100, 241606 (2012)..
☆ The article was selected for the June 25, 2012 issue of Virtual Journal of Nanoscale Science & Technology.
Link
[47] E. Voloshina, “Local correlation method for metals: Benchmarks for surface and adsorption energies”, Phys. Rev. B 85, 045444 (2012).
Link
2011
[46] E. Voloshina, A. Generalov, M. Weser, S. Böttcher, K. Horn, Yu. S. Dedkov, “Structural and electronic properties of the graphene/Al/Ni(111) intercalation system”, New J. Phys. 13, 113028 (2011).
Link
[45] E. Voloshina, D. Mollenhauer, L. Chiappisi, and B. Paulus, “Theoretical study on the adsorption of pyridine derivatives on graphene”, Chem. Phys. Lett. 510, 220 (2011).
Link
[44] E. Voloshina, D. Usvyat, M. Schütz, Yu. S. Dedkov, and B. Paulus, “On the physisorption of water on graphene: a CCSD(T) study”, Phys. Chem. Chem. Phys. 13, 12041 (2011)..
☆ The article was selected for the “Editors Choice: Theoretical and Computational Chemistry” collection.
Link
[43] Yu. S. Dedkov, A. Generalov, E. N. Voloshina, and M. Fonin, “Structural and electronic properties of Fe3O4/graphene/Ni(111) junctions”, Phys. Status Solidi RRL 5, 226 (2011).
Link
[42] D. Mollenhauer, J. Floß, H.-U. Reissig, E. Voloshina, and B. Paulus, “Accurate quantum-chemical description of gold complexes with pyridine and its derivatives”, J. Comput. Chem. 32, 1839 (2011).
Link
[41] M. Weser, E. N. Voloshina, K. Horn, Yu. S. Dedkov, “Electronic structure and magnetic properties of the graphene/Fe/Ni(111) intercalation-like system”, Phys. Chem. Chem. Phys. 13, 7534 (2011).
Link
[40] S. Böttcher, M. Weser, Yu. S. Dedkov, K. Horn, E. Voloshina, and B. Paulus, “Graphene on ferromagnetic surfaces and its functionalization with water and ammonia”, Nanoscale Res. Lett. 6, 214 (2011).
Link
[39] E. N. Voloshina and Yu. S. Dedkov, “Electronic and magnetic properties of the graphene- ferromagnet interfaces: theory vs. experiment”, in: Physics and Applications of Graphene, S. Mikhailov (ed.), INTECH Open, Vienna (2011); ISBN 978-953-307-217-3.
Link
2010
[38] D. Belger, Z. Hüsges, E. Voloshina and B. Paulus, “Role of electron correlations in the binding properties of Ca, Sr, and Ba”, J. Phys.: Condens. Matter 22, 275504 (2010).
Link
[37] E. Voloshina and B. Paulus, “Development of a wavefunction-based ab initio method for metals applying the method of increments”, Z. Phys. Chem. 224, 369 (2010).
Link
[36] Yu. S. Dedkov, E. N. Voloshina, and M. Richter, “Preparation and photoemission investigation of bulklike α-Mn films on W(110)”, Phys. Rev. B. 81, 085404 (2010)..
☆ The article was selected for the February 15, 2010 issue of Virtual Journal of Nanoscale Science & Technology.
Link
[35] M. Weser, Y. Rehder, K. Horn, M. Sicot, M. Fonin, A. B. Preobrajenski, E. N. Voloshina, E. Goering, and Yu. S. Dedkov, “Induced magnetism of carbon atoms at the graphene/Ni(111) interface”, Appl. Phys. Lett. 96, 012504 (2010).
Link
[34] E. Voloshina and B. Paulus, “Development of a wavefunction-based ab initio method for metals applying the method of increments”, in: Progress in Physical Chemistry, Vol. 3, M. Dolg (ed.), Oldenbourg Wissenschaftsverlag GmbH, Muenchen, 2010; ISBN 9783486598278.
2009
[33] E. Voloshina, K. Rosciszewski, and B. Paulus, “First-principles study of the connection between structure and electronic properties of gallium”, Phys. Rev. B 79, 045113 (2009).
Link
[32] V. M. Krikun, L. P Sadimenko, E. N. Voloshina, “Polarographic and spectrophotometric studies of the spiro[indolin-pyridobenzopyrane] complexes with the heavy metal ions”, Russ. J. Gen. Chem. 79, 1191 (2009).
Link
[31] E. Voloshina and B. Paulus, “Wavefunction-based ab initio correlation method for metals: Application of the incremental scheme to Be, Mg, Zn, Cd, and Hg”, in Book Series: Chemical Modelling: Applications and Theory (Specialist Periodical Reports), Vol. 6, M. Springborg (ed.), R.S.C., Cambridge, 2009; ISBN: 9781847558817.
Link
2008
[30] E. Voloshina and B. Paulus, “Cohesive properties of CeN and LaN from first principles”, J. Comp. Chem. 29, 2107 (2008).
Link
[29] E. Voloshina, B. Paulus, and H. Stoll, “Quantum-chemical approach to cohesive properties of metallic beryllium”, J. Phys.: Conf. Series 117, 012029 (2008).
Link
[28] Yu. S. Dedkov, S. L. Molodtsov, C. Laubschat, M. Fonin, U. Rüdiger, E. Voloshina, and Yu. Kucherenko, “Spin-resolved photoelectron spectroscopy of the rare earth/d-metal systems”, J. Mag. Mag. Mat. 320, e231 (2008).
Link
[27] V. M. Krikun, L. P. Sadimenko, E. N. Voloshina, N. A. Voloshin, and M. E. Kletskii, “A study of spiro[indoline-pyridobenzopyrans] by differential pulse voltammetry on a dropping mercury electrode and quantum chemistry”, Russ. J. Gen. Chem. 78, 662 (2008).
Link
[26] N. A. Voloshin, A. V. Chernyshev, S. O. Bezuglyi, A. V. Metelitsa, E. N. Voloshina, V. I. Minkin, “Spiropyrans and spirooxazines 4. Synthesis and spectral properties of 6′-halo-substituted spiro[indoline-2,2’-2H-pyrano[3,2-h]quinolines]”, Russ. Chem. Bull., Int. Ed. 57, 151 (2008).
Link
2007
[25] E. Voloshina and B. Paulus, “Correlation energies for small Mg-clusters in comparison to bulk magnesium”, Mol. Phys. 105, 2849 (2007).
Link
[24] E. Voloshina and B. Paulus, “Wavefunction-based ab initio method for metals: application of the incremental scheme to magnesium”, Phys. Rev. B. 75, 245117 (2007).
Link
[23] E. Voloshina, N. Gaston, and B. Paulus: “Embedding procedure for ab initio correlation calculations in group II metals”, J. Chem. Phys. 126, 134115 (2007).
Link
[22] E. Voloshina and B. Paulus: “Electron-correlation effects in metals from first principles: a multi-reference incremental scheme”, AIP CP963 (G. Maroulis and T. E. Simos, eds.), Computational methods in science and engineering, Theory and computation: Old problems and new challenges, 2, 274 (2007).
2006
[21] E. Voloshina and B. Paulus, “Influence of electronic correlations on the ground-state properties of cerium dioxide”, J. Chem. Phys. 124, 234711 (2006).
Link
[20] S. F. Seibert, E. Eguereva, A. Krick, S. Kehraus, E. Voloshina, G. Raabe, J. Fleischhauer, E. Leistner, M. Wiese, H. Prinz, K. Alexandrov, P. Janning, H. Waldmann, and G. M. König, “Polyketides from the marine-derived fungus Ascochyta salicorniae and their potential to inhibit protein phosphatases”, Org. Biomol. Chem. 4, 2233 (2006).
Link
[19] E. N. Voloshina, Yu. S. Dedkov, M. Richter, and P. Zahn, “Electronic structure, magnetism, and spin-dependent transport of CeMnNi4”, Phys. Rev. B. 73, 144412 (2006).
Link
[18] S. F. Seibert, G. M. König, E. Voloshina, G. Raabe, and J. Fleischhauer, “The application of density functional theory for the determination of the absolute configuration of molecules”, Chirality 18, 413 (2006).
Link
[17] Yu. S. Dedkov, E. N. Voloshina, and M. Fonin, “Observation of surface state on ultrathin fcc γ-Mn(111) layer”, Surf. Sci. 600, 4328 (2006).
Link
[16] Yu. S. Dedkov, Th. Kleissner, E. N. Voloshina, S. Danzenbächer, S. L. Molodtsov, and C. Laubschat, “Ferromagnetic coupling in Eu/Gd(0001) observed by spin- resolved photoelectron spectroscopy”, Phys. Rev B 73, 012402 (2006).
Link
2005
[15] E. Voloshina and B. Paulus, “On the application of the incremental scheme to ionic solids: test of different embeddings”, Theor. Chem. Acc. 114, 259 (2005).
Link
[14] D. Enders, M. Milovanovic, E. Voloshina, G. Raabe, and J. Fleischhauer, “First asymmetric synthesis and determination of the absolute configuration of a lignan isolated from Virola sebifera“, Eur. J. Org. Chem. 2005, 1984 (2005).
Link
[13] E. N. Voloshina, J. Fleischhauer, and P. Kraft, “Conformational analysis and CD calculations of methyl-substituted 13-tridecanolides”, Helv. Chim. Acta. 88, 194 (2005).
Link
[12] N. A. Voloshin, A. V. Chernyshev, A. V. Metelitsa, I. M. Raskita, E. N. Voloshina, and V. I. Minkin, “Spiropyrans and spirooxazines. 3. Synthesis of photochromic 5’-(4,5-diphenyl-1,3-oxazol-2-yl)-spiro[indoline-2,3’-naphto[2,3-b]pyran]”, Rus. Chem. Bull., Int. Ed. 3, 705 (2005).
Link
2004
[11] E. N. Voloshina, G. Raabe, M. Estermeier, B. Steffan, and J. Fleischhauer, “Determination of the absolute configuration of calliactine by quantum-chemical calculations”, Int. J. Quantum Chem. 100, 1104 (2004).
Link
[10] A. V. Metelitsa, J.-C. Micheau, S. O. Besugliy, E. B. Gaeva, N. A. Voloshin, E. N. Voloshina, A. Samat, and V. I. Minkin, “Photochromic properties of six 5-O-n-alkyl, 6-CN-substituted spironaphthoxazines”, Int. J. Photoenergy. 6, 199 (2004).
Link
[9] N. A. Voloshin, A. V. Chernyshev, A. V. Metelitsa, S. O. Besugliy, E. N. Voloshina, L. P. Sadimenko, and V. I. Minkin, “Photochromic spiro[indoline-pyridobenzopyrans]: fluorescent metal-ion sensors”, ARKIVOC. XI, 16 (2004).
Link
[8] E. N. Voloshina, G. Raabe, J. Fleischhauer, G. J. Kramp, and H.-J. Gais, “(E)-4-Methyl-1-tributyl- stannyl-oct-1-en-6-yn-3-ol: circular dichroism measurement and determination of the absolute configuration by quantum-chemical CD calculations”, Z. Naturforsch. 59a, 124 (2004).
Link
2003
[7] E. N. Voloshina, Y. Wang, N. A. Voloshin, G. Raabe, H.-J. Gais, and J. Fleischhauer, “6-Methoxy- 3,3’,3’-trimethylspiro[2H-1-benzopyran-2,1’[2]oxaindan]: Separation of enantiomers, circular di- chroism measurements and determination of the absolute configuration”, Z. Naturforsch. 58a, 443 (2003).
Link
[6] N. A. Voloshin, A. V. Metelitsa, J.-C. Micheau, E. N. Voloshina, S. O. Besugly, N. E. Shelepin, V. I. Minkin, V. V. Tkachev, B. B. Saphoklov, and S. M. Aldoshin, “Spiropyrans and spirooxazines. 2. Synthesis, structure and photochromic properties of 6’-cyan-substituted spironaphthooxazines”, Rus. Chem. Bull., Int. Ed. 52, 2038 (2003).
Link
[5] N. A. Voloshin, A. V. Metelitsa, J.-C. Micheau, E. N. Voloshina, S. O. Besugliy, A. V. Vdovenko, N. E. Shelepin, and V. I. Minkin, “Spiropyrans and spirooxazines. 1. Synthesis and photochromic properties of 9’-hydroxy- and 9’-alkoxy-substituted spironaphthooxazines”, Rus. Chem. Bull., Int. Ed. 52, 1172 (2003).
Link
2002
[4] A. V. Chernyshev, M. S. Chernov’yants, E. N. Voloshina, and N. A. Voloshin, “To estimation of pKa for spiropyrans of the indoline series”, Rus. J. Gen. Chem. 72, 1468 (2002).
Link
2001
[3] A. V. Metelitsa, J. C. Micheau, N. A. Voloshin, E. N. Voloshina, and V. I. Minkin, “Kinetic and thermodynamic investigations of the photochromism and solvatochromism of semipermanent merocyanines”, J. Phys. Chem. A. 105, 8417 (2001).
Link
1998
[2] R. F. Khairutdinov, K. Giertz, J. K. Hurst, E. N. Voloshina, N. A. Voloshin, and V. I. Minkin: “Photochromism of spirooxazines in homogeneous solution and phospholipid liposomes”, J. Am. Chem. Soc. 120, 12707 (1998).
Link
1996
[1] N. A. Voloshin, N. V. Volbushko, E. N. Voloshina, N. E. Shelepin, and V. I. Minkin: “New formyl-substituted spiropyrans of the indoline series”, Chem. Heterocycl. Compd. (Engl. Transl), 32, 1427 (1996).
Link