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Author |
Title  |
Year |
Publication |
Volume |
Times cited |
Additional Links |
Links |
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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 |
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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 |
|
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
|
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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 |
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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 |
|
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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 |
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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 |
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UA library record; WoS full record; |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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Moshnyaga, V.; Sudheendra, L.; Lebedev, O.I.; Koster, S.A.; Gehrke, K.; Shapoval, O.; Belenchuk, A.; Damaschke, B.; Van Tendeloo, G.; Samwer, K. |
A-site ordering versus electronic inhomogeneity in colossally magnetoresistive manganite films |
2006 |
Physical review letters |
97 |
43 |
UA library record; WoS full record; WoS citing articles |
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Sudheendra, L.; Moshnyaga, V.; Lebedev, O.I.; Gehrke, K.; Belenciuc, A.; Shapoval, O.; Van Tendeloo, G.; Samwer, K. |
A-site ordering and stripe phases in manganite films |
2008 |
Physica: B : condensed matter
T2 – International Conference on Strongly Correlated Electron Systems (SCES, 2007), MAY 13-18, 2007, Houston, TX |
403 |
|
UA library record; WoS full record |
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Ceglia, A.; Nuyts, G.; Cagno, S.; Meulebroeck, W.; Baert, K.; Cosyns, P.; Nys, K.; Thienpont, H.; Janssens, K.; Terryn, H. |
A XANES study of chromophores : the case of black glass |
2014 |
Analytical methods |
6 |
14 |
UA library record; WoS full record; WoS citing articles |
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Chen, X.; Cao, S.; Ikeda, T.; Srivastava, V.; Snyder, G.J.; Schryvers, D.; James, R.D. |
A weak compatibility condition for precipitation with application to the microstructure of PbTe-Sb2Te3 thermoelectrics |
2011 |
Acta materialia |
59 |
8 |
UA library record; WoS full record; WoS citing articles |
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Malesevic, A.; Kemps, R.; Zhang, L.; Erni, R.; Van Tendeloo, G.; Vanhulsel, A.; van Haesendonck, C. |
A versatile plasma tool for the synthesis of carbon nanotubes and few-layer graphene sheets |
2008 |
Journal of optoelectronics and advanced materials |
10 |
|
UA library record; WoS full record; WoS citing articles |
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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 |
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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 |
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Ramezanipour, F.; Greedan, J.E.; Siewenie, J.; Donaberger, R.L.; Turner, S.; Botton, G.A. |
A vacancy-disordered, oxygen-deficient perovskite with long-range magnetic ordering : local and average structures and magnetic properties of Sr2Fe1.5Cr0.5O5 |
2012 |
Inorganic chemistry |
51 |
12 |
UA library record; WoS full record; WoS citing articles |
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Yuan, S.; Pu, Z.; Zhou, H.; Yu, J.; Amiinu, I.S.; Zhu, J.; Liang, Q.; Yang, J.; He, D.; Hu, Z.; Van Tendeloo, G.; Mu, S. |
A universal synthesis strategy for single atom dispersed cobalt/metal clusters heterostructure boosting hydrogen evolution catalysis at all pH values |
2019 |
Nano energy |
59 |
33 |
UA library record; WoS full record; WoS citing articles |
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