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  Author (up) Title Year Publication Volume Times cited Additional Links Links
Michel, K.H.; Verberck, B.; Hulman, M.; Kuzmany, H.; Krause, M. Superposition of quantum and classical rotational motions in Sc2C2@C84 fullerite 2007 The journal of chemical physics 126 14 UA library record; WoS full record; WoS citing articles 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
Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M. Single-layer structures of a100- and b010-Gallenene : a tight-binding approach 2019 Physical chemistry, chemical physics 21 7 UA library record; WoS full record; WoS citing articles pdf doi
Naseri, M.; Bafekry, A.; Faraji, M.; Hoat, D.M.; Fadlallah, M.M.; Ghergherehchi, M.; Sabbaghi, N.; Gogova, D. Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles 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 UA library record; WoS full record doi
Neyts, E.; Bogaerts, A. Influence of internal energy and impact angle on the sticking behaviour of reactive radicals in thin a-C:H film growth: a molecular dynamics study 2006 Physical chemistry, chemical physics 8 7 UA library record; WoS full record; WoS citing articles 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
Nikolaev, A.V.; Lamoen, D.; Partoens, B. Extension of the basis set of linearized augmented plane wave (LAPW) method by using supplemented tight binding basis functions 2016 The journal of chemical physics 145 11 UA library record; WoS full record; WoS citing articles pdf url doi
Nikolaev, A.V.; Michel, K.H. Superexchange and electron correlations in alkali fullerides AC60, A=K, Rb, Cs 2005 The journal of chemical physics 122 11 UA library record; WoS full record; WoS citing articles url doi
Nikolaev, A.V.; Prassides, K.; Michel, K.H. Charge transfer and polymer phases in AC60 (A=K, Rb, Cs) fullerides 1998 The journal of chemical physics 108 14 UA library record; WoS full record; WoS citing articles doi
Ning, Y.; Zhang, X.; Wang, Y.; Sun, Y.; Shen, L.; Yang, X.; Van Tendeloo, G. Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst 2002 Chemical physics letters 366 41 UA library record; WoS full record; WoS citing articles 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
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
Piedigrosso, P.; Konya, Z.; Colomer, J.-F.; Fonseca, A.; Van Tendeloo, G.; Nagy, J.B. Production of differently shaped multi-wall carbon nanotubes using various cobalt supported catalysts 2000 Physical chemistry, chemical physics 2 53 UA library record; WoS full record; WoS citing articles pdf url doi
Pierard, N.; Fonseca, A.; Konya, Z.; Willems, I.; Van Tendeloo, G.; Nagy, J.B. Production of short carbon nanotubes with open tips by ball milling 2001 Chemical physics letters 335 203 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
Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. Structural and electronic properties of defects at grain boundaries in CuInSe2 2017 Physical chemistry, chemical physics 19 12 UA library record; WoS full record; WoS citing articles pdf url 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
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
Scipioni, R.; Matsubara, M.; Ruiz, E.; Massobrio, C.; Boero, M. Thermal behavior of Si-doped fullerenes vs their structural stability at T = 0 K : a density functional study 2011 Chemical physics letters 510 14 UA library record; WoS full record; WoS citing articles doi
Serrano-Sevillano, J.; Reynaud, M.; Saracibar, A.; Altantzis, T.; Bals, S.; van Tendeloo, G.; Casas-Cabanas, M. Enhanced electrochemical performance of Li-rich cathode materials through microstructural control 2018 Physical chemistry, chemical physics 20 36 UA library record; WoS full record; WoS citing articles url doi
Shariat, M.; Shokri, B.; Neyts, E.C. On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition 2013 Chemical physics letters 590 14 UA library record; WoS full record; WoS citing articles doi
Shirazi, M.; Bogaerts, A.; Neyts, E.C. A DFT study of H-dissolution into the bulk of a crystalline Ni(111) surface: a chemical identifier for the reaction kinetics 2017 Physical chemistry, chemical physics 19 10 UA library record; WoS full record; WoS citing articles pdf url doi
Singh, S.K.; Neek-Amal, M.; Peeters, F.M. Electronic properties of graphene nano-flakes : energy gap, permanent dipole, termination effect, and Raman spectroscopy 2014 The journal of chemical physics 140 30 UA library record; WoS full record; WoS citing articles pdf doi
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. On the relative stabilities of the linear and triangular forms of B3N 1993 Chemical physics 178 9 UA library record; WoS full record; WoS citing articles doi
Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R. The structure, energetics, and harmonic vibrations of B3N 1993 Chemical physics letters 201 20 UA library record; WoS full record; WoS citing articles doi
Sliem, M.A.; Turner, S.; Heeskens, D.; Kalidindi, S.B.; Van Tendeloo, G.; Muhler, M.; Fischer, R.A. Preparation, microstructure characterization and catalytic performance of Cu/ZnO and ZnO/Cu composite nanoparticles for liquid phase methanol synthesis 2012 Physical chemistry, chemical physics 14 16 UA library record; WoS full record; WoS citing articles pdf 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
Taylor, P.R.; Martin, J.M.L.; François, J.P.; Gijbels, R. An ab initio study of the C3+ cation using multireference methods 1991 The journal of chemical physics 95 UA library record
Thomé, T.; Colaux, J.L.; Colomer, J.-F.; Bertoni, G.; Terwagne, G. Formation of carbon nitride nanospheres by ion implantation 2007 Materials chemistry and physics 103 1 UA library record; WoS full record; WoS citing articles doi
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