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  Author Title (down) Year Publication Volume Times cited Additional Links Links
Reyntjens, P.D.; Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. Ab-initio study of magnetically intercalated Tungsten diselenide 2020 International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 23-OCT 06, 2020 UA library record; WoS full record pdf doi
Reyntjens, P.D.; Tiwari, S.; van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. Ab-initio study of magnetically intercalated platinum diselenide : the impact of platinum vacancies 2021 Materials 14 UA library record; WoS full record; WoS citing articles url doi
Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R. Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical 1996 Chemical physics letters 252 28 UA library record; WoS full record; WoS citing articles pdf doi
Martin, J.M.L.; François, J.P.; Gijbels, R. Ab initio study of the structure, infrared spectra and heat of formation of C4 1991 The journal of chemical physics 94 62 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
Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R. Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN2 molecule 1994 Chemical physics letters 222 14 UA library record; WoS full record; WoS citing articles doi
Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M. Ab initio study of hydrogenic effective mass impurities in Si nanowires 2017 Journal of physics : condensed matter 29 1 UA library record; WoS full record; WoS citing articles pdf doi
Martin, J.M.L.; François, J.P.; Gijbels, R. Ab initio spectroscopy and thermochemistry of the BN molecule 1991 Zeitschrift für Physik : D : atoms, molecules and clusters 21 17 UA library record; WoS full record; WoS citing articles
Bafekry, A.; Mortazavi, B.; Faraji, M.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Nguyen, C.; Ghergherehchi, M.; Feghhi, S.A.H. Ab initio prediction of semiconductivity in a novel two-dimensional Sb₂X₃ (X= S, Se, Te) monolayers with orthorhombic structure 2021 Scientific Reports 11 UA library record; WoS full record; WoS citing articles url doi
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. Ab initio modeling of few-layer dilute magnetic semiconductors 2021 International Conference on Simulation of Semiconductor Processes and Devices : [proceedings] T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2021, Dallas, TX UA library record; WoS full record pdf doi
Sabani, D.; Bacaksiz, C.; Milošević, M.V. Ab initio methodology for magnetic exchange parameters: Generic four-state energy mapping onto a Heisenberg spin Hamiltonian 2020 Physical Review B 102 13 UA library record; WoS full record; WoS citing articles url doi
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. Ab initio computation of the mean inner Coulomb potential of wurtzite-type semiconductors and gold 2006 Applied Physics Letters 88 8 UA library record; WoS full record; WoS citing articles doi
Schowalter, M.; Rosenauer, A.; Lamoen, D.; Kruse, P.; Gerthsen, D. Ab initio computation of the mean inner Coulomb potential of technological important semiconductors 2005 1007 UA library record; WoS full record;
Schowalter, M.; Titantah, J.T.; Lamoen, D.; Kruse, P. Ab initio computation of the mean inner Coulomb potential of amorphous carbon structures 2005 Applied physics letters 86 15 UA library record; WoS full record; WoS citing articles doi
Surmenev, R.A.; Grubova, I.Y.; Neyts, E.; Teresov, A.D.; Koval, N.N.; Epple, M.; Tyurin, A.I.; Pichugin, V.F.; Chaikina, M.V.; Surmeneva, M.A. Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings 2020 Surfaces and interfaces 21 UA library record; WoS full record; WoS citing articles pdf url doi
Dadsetani, M.; Titantah, J.T.; Lamoen, D. Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond 2010 Diamond and related materials 19 11 UA library record; WoS full record; WoS citing articles doi
Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. Ab initio based atomic scattering amplitudes and {002} electron structure factors of InxGa1-xAs/GaAs quantum wells 2010 Journal of physics : conference series 209 UA library record; WoS full record url doi
Torun, E.; Sahin, H.; Chaves, A.; Wirtz, L.; Peeters, F.M. Ab initio and semiempirical modeling of excitons and trions in monolayer TiS3 2018 Physical review B 98 10 UA library record; WoS full record; WoS citing articles url doi
Sobrino Fernandez, M.M.; Neek-Amal, M.; Peeters, F.M. AA-stacked bilayer square ice between graphene layers 2015 Physical review : B : condensed matter and materials physics 92 40 UA library record; WoS full record; WoS citing articles url doi
Pardoen, T.; Colla, M.-S.; Idrissi, H.; Amin-Ahmadi, B.; Wang, B.; Schryvers, D.; Bhaskar, U.K.; Raskin, J.-P. A versatile lab-on-chip test platform to characterize elementary deformation mechanisms and electromechanical couplings in nanoscopic objects 2016 Comptes rendus : physique 17 7 UA library record; WoS full record; WoS citing articles pdf url doi
Bafekry, A.; Faraji, M.; Ziabari, A.A.; Fadlallah, M.M.; Nguyen, C., V; Ghergherehchi, M.; Feghhi, S.A.H. A van der Waals heterostructure of MoS₂/MoSi₂N₄ : a first-principles study 2021 New Journal Of Chemistry 45 UA library record; WoS full record; WoS citing articles url doi
Conings, B.; Babayigit, A.; Klug, M. T.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J. T.-W.; Verbeeck, J.; Boyen, H.-G. A Universal Deposition Protocol for Planar Heterojunction Solar Cells with High Efficiency Based on Hybrid Lead Halide Perovskite Families 2016 Advanced materials 28 95 UA library record; WoS full record; WoS citing articles url doi
Obeid, M.M.; Bafekry, A.; Rehman, S.U.; Nguyen, C., V. A type-II GaSe/HfS₂ van der Waals heterostructure as promising photocatalyst with high carrier mobility 2020 Applied Surface Science 534 4 UA library record; WoS full record; WoS citing articles pdf doi
Ferreira, W.P.; Farias, G.A.; Peeters, F.M. A two-component mixture of charged particles confined in a channel: melting 2010 Journal of physics : condensed matter 22 10 UA library record; WoS full record; WoS citing articles doi
Smolders, S.; Willhammar, T.; Krajnc, A.; Şentosun, K.; Wharmby, M.T.; Lomachenko, K.A.; Bals, S.; Mali, G.; Roeffaers, M.B.J.; De Vos, D.E.; Bueken, B. A titanium(IV)-based metal-organic framework featuring defect-rich Ti-O sheets as an oxidative desulfurization catalyst 2019 Angewandte Chemie: international edition in English 58 97 UA library record; WoS full record; WoS citing articles pdf doi
Mlinar, V.; Peeters, F.M. A three-dimensional model for artificial atoms and molecules: influence of substrate orientation and magnetic field dependence 2007 Journal of materials chemistry 17 7 UA library record; WoS full record; WoS citing articles doi
Tschulkow, M. A techno-environmental economic assessment of a lignin-first biorefinery : a dynamic and prospective framework for emerging technologies 2022 UA library record
Van Dael, M.; Van Passel, S.; Pelkmans, L.; Guisson, R.; Reumermann, P.; Luzardo, N.M.; Witters, N.; Broeze, J. A techno-economic evaluation of a biomass energy conversion park 2013 Applied Energy 104 45 UA library record; WoS full record; WoS citing articles doi
Thomassen, G.; Egiguren Vila, U.; Van Dael, M.; Lemmens, B.; Van Passel, S. A techno-economic assessment of an algal-based biorefinery 2016 Clean Technologies And Environmental Policy 18 24 UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles pdf url doi
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
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