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Showing results 1 to 20 of 26
Issue Year Title Author(s) Type Views Downloads
2019 A DFT Study of Hydrogen Adsorption on h-BN: Boron Doping Effects Petrushenko, I.K. Article -1491783430 646202400
2017 A DFT Study of Hydrogen Adsorption onto Graphene: Effect of Nitrogen Doping Petrushenko, I.K. Article 2038997653 -1323697897
2016 A DFT Study on Electronic and Structural Properties of Graphene Nanoribbons Petrushenko, I.K. Article 1170651795 -694483967
2013 Car-Parrinello Molecular Dynamics of Nanosized Graphene Sheets Wang, S.Q. Conference Papers 400593087 365933401
2022 Charge Density and Density of States (DOS) of Monoclinic ZrO2 Using Meta-GGA DFT Functional Mostefai, Abdelkrim Article -1089537704 -61071302
2025 DFT Performance Analysis of Graphene Nanoribbon FET with Gate Stack for Low Power Applications Dutta, R.; Das, D. Article 1 0
2016 DFT Study on Structural and Mechanical Properties of Single-walled Carbon and Boron Nitride Nanotubes Functionalized with Carbenes Petrushenko, I.K. Article 68603002 932072330
2020 Electronic Properties of Tetrataenite L10 FeNi at Earth’s Core Conditions Pandya, N.Y.; Mevada, A.D.; Gajjar, P.N. Article 714948992 -454388829
2022 Electronic Properties of α-Al2O3 Mostefai, Abdelkrim Article -1624245333 2121692323
2018 Electronics Properties of Monoclinic HfO2 Abdelkrim, Mostefai; Smail, Berrah; Hamza, Abid Article 1082034616 -780177075
2015 First Principle Study of Uranium Nitrides UN and UN2 Using DFT and DFT + U Zergoug, T.; Abaidia, S.E.H.; Nedjar, A. Article -122845379 1318290991
2020 First Principles Study of Rare Earth Mononitrides ScN and YN under Pressure Yagoub, R.; Hadjfatah, A.; Louhibi-Fasla, S.; Daoud, S.; Bahlouli, S.; Haichour, A.; Zegadi, C. Article -1034256948 1076872662
2020 Hydrogen Adsorption on Li+ and Na+ Decorated Coronene and Corannulene: DFT, SAPT0, and IGM Study Petrushenko, I.K. Article 273173285 245359735
2021 Hydrogen Physisorption on BNC Heterostructures: A Systematic Theoretical Study Bogdanovich, D.V.; Tsar'kova, A.I.; Petrushenko, I.K. Article 1077999470 923495393
2021 Lattice Dynamic and Thermophysical Properties of AlSi (Silumine) Alloy: A DFT Study Suthar, R.K.; Pandya, N.Y.; Mevada, Adwait D.; Gajjar, P.N. Article -2000410946 -866713077
2013 Nanotube Connections in Bilayer Graphene with Elongated Holes Chernozatonskii, L.A.; Demin, V.A. Conference Papers 183855163 164331067
2018 Physical Adsorption of N-containing Heterocycles on Hexagonal Boron Nitride: DFT-D3 Study Petrushenko, I.K. Article 1125308054 1068445985
2020 The Physicochemical Characteristics of Silicon-Germanium Nanoclusters Zitouni, I.; Aiadi, K.E.; Bentouila, O.; Benaida, M.; Bouguettaia, H.; Ayat, Z. Article 1540478217 993827448
2020 Simple Thiophene Based Organic Dyes as Active Photosensitizers for DSSC Application: from Molecular Design to Structure Property Relationship Keremane, Kavya S.; Naik, Praveen; Adhikari, Airody Vasudeva Article 622242863 734911814
2019 Simulation of Spherical Metal Nanoclusters Containing Monovacancy Reva, V.I.; Vasylenko, O.V.; Pogosov, V.V. Article 47185068 30738877