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  Author Title (down) Year Publication Volume Times cited Additional Links Links
Vijayakumar, J.; Savchenko, T.M.; Bracher, D.M.; Lumbeeck, G.; Béché, A.; Verbeeck, J.; Vajda, Š.; Nolting, F.; Vaz, Ca.f.; Kleibert, A. Absence of a pressure gap and atomistic mechanism of the oxidation of pure Co nanoparticles 2023 Nature communications 14 1 UA library record; WoS full record; WoS citing articles url doi
Tavkhelidze, I.; Gielis, J.; Pinelas, S. About some methods of analytic representation and classification of a wide set of geometric figures with “complex” configuration 2020 Sn – 1512-0066 34 UA library record file
Tavkhelidze, I.; Gielis, J.; Pinelas, S. About some methods of analytic representation and classification of a wide set of geometric figures with “complex” configuration 2020 UA library record pdf doi
Gielis, J.; Tavkelidze, I.; Ricci, P.E. About “bulky” links, generated by generalized Möbius-Listing bodies 2011 UA library record
Tavkhelidze, I.; Cassisa, C.; Gielis, J.; Ricci, P.E. About “bulky” links, generated by generalized Möbius Listing's bodies GML3n 2013 Matematica e applicazioni : atti della Accademia nazionale dei Lincei 24 UA library record; WoS full record; WoS citing articles pdf doi
Gielis, J.; Tavkhelidze, I.; Ricci, P.E. About “bulky” links generated by generalized Möbius-Listing bodies GML2n 2013 Journal of mathematical sciences 193 UA library record pdf doi
Hamid, I.; Jalali, H.; Peeters, F.M.; Neek-Amal, M. Abnormal in-plane permittivity and ferroelectricity of confined water : from sub-nanometer channels to bulk 2021 Journal Of Chemical Physics 154 9 UA library record; WoS full record; WoS citing articles url doi
Turner, S.; Shenderova, O.; da Pieve, F.; Lu, Y.-G.; Yücelen, E.; Verbeeck, J.; Lamoen, D.; Van Tendeloo, G. Aberration-corrected microscopy and spectroscopy analysis of pristine, nitrogen containing detonation nanodiamond 2013 Physica status solidi : A : applications and materials science 210 37 UA library record; WoS full record; WoS citing articles pdf doi
Schoeters, B.; Leenaerts, O.; Pourtois, G.; Partoens, B. Ab-initio study of the segregation and electronic properties of neutral and charged B and P dopants in Si and Si/SiO2 nanowires 2015 Journal of applied physics 118 3 UA library record; WoS full record; WoS citing articles pdf url doi
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
Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. Ab initio study of shallow acceptors in bixbyite V2O3 2015 Journal of applied physics 117 3 UA library record; WoS full record; WoS citing articles url 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
Bekaert, J. Ab initio description of multicomponent superconductivity in bulk to atomically thin materials 2018 UA library record url
Bekaert, J. Ab initio description of multicomponent superconductivity in bulk to atomically thin materials 2018 UA library record url
Madsen, J.; Pennycook, T.J.; Susi, T. ab initio description of bonding for transmission electron microscopy 2021 Ultramicroscopy 231 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
Nivesanond, K.; Peeters, A.; Lamoen, D.; van Alsenoy, C. Ab initio calculation of the interaction energy in the P2 binding pocket of HIV-1 protease 2005 International Journal Of Quantum Chemistry 105 8 UA library record; WoS full record; WoS citing articles 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
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