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  Author Title (up) Year Publication Volume Times cited Additional Links Links
Potgieter-Vermaak, S.S.; Potgieter, J.H.; Worobiec, A.; Van Grieken, R.; Marjanovic, L.; Moeketsi, S. Fingerprinting of South African ordinary Portland cements, cement blends and mortars for identification purposes: discrimination with starplots and PCA 2007 Cement and concrete research 37 UA library record; WoS full record; WoS citing articles doi
Berdiyorov, G.R.; Elmurodov, A.K.; Peeters, F.M.; Vodolazov, D.Y. Finite-size effect on the resistive state in a mesoscopic type-II superconducting stripe 2009 Physical review : B : solid state 79 36 UA library record; WoS full record; WoS citing articles url doi
Klimin, S.N.; Tempere, J.; Verhelst, N.; Milošević, M.V. Finite-temperature vortices in a rotating Fermi gas 2016 Physical review A 94 6 UA library record; WoS full record; WoS citing articles url doi
Klimin, S.N.; Tempère, J.; Misko, V.R.; Wouters, M. Finite-temperature Wigner solid and other phases of ripplonic polarons on a helium film 2016 European physical journal : B : condensed matter and complex systems 89 1 UA library record; WoS full record; WoS citing articles doi
Lebedev, O.I.; Millange, F.; Serre, C.; Van Tendeloo, G.; Férey, G. First direct imaging of giant pores of the metal-organic framework MIL-101 2005 Chemistry of materials 17 191 UA library record; WoS full record; WoS citing articles pdf doi
Devouard, B.; Baronnet, A.; Van Tendeloo, G.; Amelinckx, S. First evidence of synthetic polygonal serpentines 1997 European journal of mineralogy 9 15 UA library record; WoS full record; WoS citing articles
Demirkol, Ö.; Sevik, C.; Demiroğlu, I. First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides 2022 Physical chemistry, chemical physics 24 UA library record; WoS full record; WoS citing articles url doi
Martin, J.M.L.; François, J.P.; Gijbels, R. First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers 1992 The journal of chemical physics 96 59 UA library record; WoS full record; WoS citing articles
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
Pourtois, G.; Lauwers, A.; Kittl, J.; Pantisano, L.; Sorée, B.; De Gendt, S.; Magnus, W.; Heyns, A.; Maex, K. First-principle calculations on gate/dielectric interfaces : on the origin of work function shifts 2005 Microelectronic engineering 80 31 UA library record; WoS full record; WoS citing articles pdf doi
Jafarzadeh, A. First-principle studies of plasma-catalyst interactions for greenhouse gas conversion 2020 UA library record url
Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A. First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various 2022 Materials Today Communications 31 UA library record; WoS full record pdf doi
Bercx, M.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon 2016 Physical chemistry, chemical physics 18 34 UA library record; WoS full record; WoS citing articles pdf url doi
Bertoni, G.; Calmels, L. First-principles calculation of the electronic structure and energy loss near edge spectra of chiral carbon nanotubes 2006 Micron 37 12 UA library record; WoS full record; WoS citing articles pdf doi
Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs 2005 Physical Review B 72 42 UA library record; WoS full record; WoS citing articles doi
Rosenauer, A.; Schowalter, M.; Glas, F.; Lamoen, D. First-principles calculations of 002 structure factors for electron scattering in strained InxGa1-xAs 2005 107 UA library record; WoS full record;
Schowalter, M.; Lamoen, D.; Kruse, P.; Gerthsen, D.; Rosenauer, A. First-principles calculations of the mean inner Coulomb potential for sphalerite type II.VI semiconductors 2004 Applied Physics Letters 85 16 UA library record; WoS full record; WoS citing articles doi
Sivek, J. First-principles characterization and functionalization of graphene-like materials 2015 UA library record
Titantah, J.T.; Lamoen, D. First-principles characterization of amorphous carbon nitride systems: structural and electronic properties 2006 Physica status solidi: A: applied research 203 3 UA library record; WoS full record; WoS citing articles doi
Kocabas, T.; Cakir, D.; Sevik, C. First-principles discovery of stable two-dimensional materials with high-level piezoelectric response 2021 Journal Of Physics-Condensed Matter 33 UA library record; WoS full record; WoS citing articles doi
van den Broek, B.; Houssa, M.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. First-principles electronic functionalization of silicene and germanene by adatom chemisorption 2014 Applied surface science 291 32 UA library record; WoS full record; WoS citing articles doi
Dixit, H. First-principles electronic structure calculations of transparent conducting oxide materials 2012 UA library record
Bekaert, J.; Sevik, C.; Milošević, M.V. First-principles exploration of superconductivity in MXenes 2020 Nanoscale 12 15 UA library record; WoS full record; WoS citing articles url doi
Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. First-principles investigation of B- and N-doped fluorographene 2013 Physical review : B : condensed matter and materials physics 88 16 UA library record; WoS full record; WoS citing articles url doi
Sivek, J.; Leenaerts, O.; Partoens, B.; Peeters, F.M. First-principles investigation of bilayer fluorographene 2012 The journal of physical chemistry: C : nanomaterials and interfaces 116 39 UA library record; WoS full record; WoS citing articles doi
Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Mortazavi, B. First-principles investigation of electronic, mechanical and thermoelectric properties of graphene-like XBi (X = Si, Ge, Sn) monolayers 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles url doi
Leenaerts, O.; Peelaers, H.; Hernández-Nieves, A.D.; Partoens, B.; Peeters, F.M. First-principles investigation of graphene fluoride and graphane 2010 Physical review : B : condensed matter and materials physics 82 367 UA library record; WoS full record; WoS citing articles url doi
Akande, S.O.; Samanta, B.; Sevik, C.; Cakir, D. First-principles investigation of mechanical and thermal properties of M Al B (M = Mo, W), Cr₂ AlB₂, and Ti₂ In B₂ 2023 Physical review applied 20 UA library record; WoS full record doi
Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D. First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate 2020 Physical Chemistry Chemical Physics 22 18 UA library record; WoS full record; WoS citing articles url doi
Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H. First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 2022 Applied surface science 572 UA library record; WoS full record; WoS citing articles pdf doi
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