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  Author Title Year Publication Volume Times cited Additional Links Links
Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. A systematic study of various 2D materials in the light of defect formation and oxidation 2019 Physical chemistry, chemical physics 21 1 UA library record; WoS full record; WoS citing articles pdf doi
Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M. Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study 2021 Physical Chemistry Chemical Physics 23 4 UA library record; WoS full record doi
Çakir, D.; Sahin, H.; Peeters, F.M. Doping of rhenium disulfide monolayers : a systematic first principles study 2014 Physical chemistry, chemical physics 16 58 UA library record; WoS full record; WoS citing articles pdf doi
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.; Volety, K.; Huyberechts, G.; Paul, J. High throughput first-principles calculations of bixbyite oxides for TCO applications 2014 Physical chemistry, chemical physics 16 23 UA library record; WoS full record; WoS citing articles pdf doi
Dabaghmanesh, S.; Sarmadian, N.; Neyts, E.C.; Partoens, B. A first principles study of p-type defects in LaCrO3 2017 Physical chemistry, chemical physics 19 16 UA library record; WoS full record; WoS citing articles url doi
Bafekry, A.; Faraji, M.; Fadlallah, M.M.; Jappor, H.R.; Karbasizadeh, S.; Ghergherehchi, M.; Sarsari, I.A.; Ziabari, A.A. Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure : a first-principles study 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles url doi
Van der Paal, J.; Hong, S.-H.; Yusupov, M.; Gaur, N.; Oh, J.-S.; Short, R.D.; Szili, E.J.; Bogaerts, A. How membrane lipids influence plasma delivery of reactive oxygen species into cells and subsequent DNA damage : an experimental and computational study 2019 Physical chemistry, chemical physics 21 1 UA library record; WoS full record; WoS citing articles url doi
Vermeyen, T.; Brence, J.; Van Echelpoel, R.; Aerts, R.; Acke, G.; Bultinck, P.; Herrebout, W. Exploring machine learning methods for absolute configuration determination with vibrational circular dichroism 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles url doi
Schoeters, B.; Neyts, E.C.; Khalilov, U.; Pourtois, G.; Partoens, B. Stability of Si epoxide defects in Si nanowires : a mixed reactive force field/DFT study 2013 Physical chemistry, chemical physics 15 3 UA library record; WoS full record; WoS citing articles url doi
Bafekry, A.; Shayesteh, S.F.; Peeters, F.M. Introducing novel electronic and magnetic properties in C3N nanosheets by defect engineering and atom substitution 2019 Physical chemistry, chemical physics 21 59 UA library record; WoS full record; WoS citing articles url doi
Sozen, Y.; Yagmurcukardes, M.; Sahin, H. Vibrational and optical identification of GeO₂ and GeO single layers : a first-principles study 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles doi
Hermans, I.; Breynaert, E.; Poelman, H.; de Gryse, R.; Liang, D.; Van Tendeloo, G.; Maes, A.; Peeters, J.; Jacobs, P. Silica-supported chromium oxide: colloids as building blocks 2007 Physical chemistry, chemical physics 9 8 UA library record; WoS full record; WoS citing articles doi
Martin, J.M.L.; François, J.P.; Gijbels, R. On the structure, stability and infrared spectrum of B2N, B2N+, B2N-, BO, B2O and B2N2 1992 Chemical physics letters 193 42 UA library record; WoS full record; WoS citing articles doi
Ao, Z.M.; Hernández-Nieves, A.D.; Peeters, F.M.; Li, S. The electric field as a novel switch for uptake/release of hydrogen for storage in nitrogen doped graphene 2012 Physical chemistry, chemical physics 14 67 UA library record; WoS full record; WoS citing articles pdf doi
Ivanov, V.; Nagy, J.B.; Lambin, P.; Lucas, A.; Zhang, X.B.; Zhang, X.F.; Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J. The study of carbon nanotubules produced by catalytic method 1994 Chemical physics letters 223 405 UA library record; WoS full record; WoS citing articles pdf doi
Gorbanev, Y.; Verlackt, C.C.W.; Tinck, S.; Tuenter, E.; Foubert, K.; Cos, P.; Bogaerts, A. Combining experimental and modelling approaches to study the sources of reactive species induced in water by the COST RF plasma jet 2018 Physical chemistry, chemical physics 20 23 UA library record; WoS full record; WoS citing articles pdf url doi
Bafekry, A.; Stampfl, C.; Akgenc, B.; Ghergherehchi, M. Control of C3N4 and C4N3 carbon nitride nanosheets' electronic and magnetic properties through embedded atoms 2020 Physical Chemistry Chemical Physics 22 18 UA library record; WoS full record; WoS citing articles url doi
Payne, L.M.; Masia, F.; Zilli, A.; Albrecht, W.; Borri, P.; Langbein, W. Quantitative morphometric analysis of single gold nanoparticles by optical extinction microscopy: Material permittivity and surface damping effects 2021 Journal Of Chemical Physics 154 UA library record; WoS full record; WoS citing articles url doi
Neyts, E.; Shibuta, Y.; Bogaerts, A. Bond switching regimes in nickel and nickel-carbon nanoclusters 2010 Chemical physics letters 488 20 UA library record; WoS full record; WoS citing articles doi
Bittencourt, C.; Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Drube, W.; Erni, R.; Van Tendeloo, G. Decorating carbon nanotubes with nickel nanoparticles 2007 Chemical physics letters 436 78 UA library record; WoS full record; WoS citing articles pdf doi
Georgieva, V.; Todorov, I.T.; Bogaerts, A. Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential 2010 Chemical physics letters 485 16 UA library record; WoS full record; WoS citing articles doi
Bittencourt, C.; Hecq, M.; Felten, A.; Pireaux, J.J.; Ghijsen, J.; Felicissimo, M.P.; Rudolf, P.; Drube, W.; Ke, X.; Van Tendeloo, G. Platinumcarbon nanotube interaction 2008 Chemical physics letters 462 62 UA library record; WoS full record; WoS citing articles pdf doi
Bekaert, J.; Saniz, R.; Partoens, B.; Lamoen, D. Native point defects in CuIn1-xGaxSe2 : hybrid density functional calculations predict the origin of p- and n-type conductivity 2014 Physical chemistry, chemical physics 16 43 UA library record; WoS full record; WoS citing articles pdf url doi
Momot, A.; Amini, M.N.; Reekmans, G.; Lamoen, D.; Partoens, B.; Slocombe, D.R.; Elen, K.; Adriaensens, P.; Hardy, A.; Van Bael, M.K. A novel explanation for the increased conductivity in annealed Al-doped ZnO: an insight into migration of aluminum and displacement of zinc 2017 Physical chemistry, chemical physics 19 26 UA library record; WoS full record; WoS citing articles pdf url doi
Verberck, B.; Okazaki, T.; Tarakina, N.V. Ordered and disordered packing of coronene molecules in carbon nanotubes 2013 Physical chemistry, chemical physics 15 9 UA library record; WoS full record; WoS citing articles doi
Chaney, G.; Cakir, D.; Peeters, F.M.; Ataca, C. Stability of adsorption of Mg and Na on sulfur-functionalized MXenes 2021 Physical Chemistry Chemical Physics 23 7 UA library record; WoS full record; WoS citing articles doi
Sanchez-Barriga, J.; Ogorodnikov, I.I.; Kuznetsov, M.V.; Volykhov, A.A.; Matsui, F.; Callaert, C.; Hadermann, J.; Verbitskiy, N.I.; Koch, R.J.; Varykhalov, A.; Rader, O.; Yashina, L.V. Observation of hidden atomic order at the interface between Fe and topological insulator Bi2Te3 2017 Physical chemistry, chemical physics 19 4 UA library record; WoS full record; WoS citing articles pdf url doi
Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V. High-throughput analysis of tetragonal transition metal Xenes 2022 Physical chemistry, chemical physics 24 1 UA library record; WoS full record; WoS citing articles pdf doi
Martin, J.M.L.; François, J.P.; Gijbels, R. First principles computation of thermo-chemical properties beyond the harmonic approximation: 2: application to the amino radical and its isotopomers 1992 The journal of chemical physics 97 22 UA library record; WoS full record; WoS citing articles
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules 1994 Chemical physics letters 226 46 UA library record; WoS full record; WoS citing articles pdf doi
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