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  Author Title Year (down) Publication Volume Times cited Additional Links Links
Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures 2024 Computational materials science 241 UA library record; WoS full record pdf doi
Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M. Chlorinated phosphorene for energy application 2024 Computational materials science 231 2 UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles pdf url doi
Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics 2020 Computational Materials Science 177 UA library record; WoS full record; WoS citing articles pdf url doi
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study 2019 Computational materials science 159 1 UA library record; WoS full record; WoS citing articles pdf doi
Gonzalez-Garcia, A.; Lopez-Perez, W.; Rivera-Julio, J.; Peeters, F.M.; Mendoza-Estrada, V.; Gonzalez-Hernandez, R. Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study 2018 Computational materials science 144 3 UA library record; WoS full record; WoS citing articles pdf doi
Mobaraki, A.; Kandemir, A.; Yapicioglu, H.; Gulseren, O.; Sevik, C. Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties 2018 Computational materials science 144 UA library record; WoS full record; WoS citing articles doi
Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide 2014 Computational materials science 95 15 UA library record; WoS full record; WoS citing articles pdf url doi
Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. Stability and structures of the CFCC-TmC phases : a first-principles study 2012 Computational materials science 51 18 UA library record; WoS full record; WoS citing articles pdf doi
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