| Title |
P-V Relation for Mercuric Calcogenides: Ab Initio Method |
| Authors |
M. Gautam, S. Tenguria, G. Misra |
| Issue |
Volume 3, Year 2011, Number 1, Part 4 |
| Pages |
0818 - 0822 |
| Title |
The Structural and Mechanical Properties of Graphene functionalized by Atomic Oxygen |
| Authors |
I.K. Petrushenko |
| Issue |
Volume 5, Year 2013, Number 4 |
| Pages |
04065-1 - 04065-4 |
| Title |
Synthesis, Characterization and Density Functional Study of LiMn1.5Ni 0.5O4 Electrode for Lithium ion Battery |
| Authors |
M. Aruna Bharathi, K. Venkateswara Rao, M. Sushama |
| Issue |
Volume 6, Year 2014, Number 1 |
| Pages |
01005-1 - 01005-5 |
| Title |
Structural and Mechanical Properties of Fluorinated SWCNTs: a DFT Study |
| Authors |
I.K. Petrushenko |
| Issue |
Volume 7, Year 2015, Number 1 |
| Pages |
01005-1 - 01005-4 |
| Title |
Fe-doped SnO2: A Quantum-chemical Approach |
| Authors |
A. Stashans, P. Puchaicela |
| Issue |
Volume 7, Year 2015, Number 2 |
| Pages |
02032-1 - 02032-3 |
| Title |
First Principle Study of Uranium Nitrides UN and UN2 Using DFT and DFT + U |
| Authors |
T. Zergoug, S.E.H. Abaidia, A. Nedjar |
| Issue |
Volume 7, Year 2015, Number 4 |
| Pages |
04018-1 - 04018-5 |
| Title |
A DFT Study on Electronic and Structural Properties of Graphene Nanoribbons |
| Authors |
I.K. Petrushenko |
| Issue |
Volume 8, Year 2016, Number 4 |
| Pages |
04052-1 - 04052-4 |
| Title |
A DFT Study of Hydrogen Adsorption onto Graphene: Effect of Nitrogen Doping |
| Authors |
I.K. Petrushenko |
| Issue |
Volume 9, Year 2017, Number 3 |
| Pages |
03018-1 - 03018-5 |
| Title |
Physical Adsorption of N-containing Heterocycles on Hexagonal Boron Nitride: DFT-D3 Study |
| Authors |
I.K. Petrushenko |
| Issue |
Volume 10, Year 2018, Number 2 |
| Pages |
02010-1 - 02010-6 |
| Title |
Nanosize Structures and Energy Parameters of Doped Silicon Clusters Passivated by Hydrogen |
| Authors |
M.Yu. Tashmetov, A.B. Normurodov, N.T. Sulaymanov, Sh. Makhkamov, F.T. Umarova, A.V. Khugaev, Kh.M. Kholmedov |
| Issue |
Volume 10, Year 2018, Number 3 |
| Pages |
03011-1 - 03011-6 |
| Title |
Long-range Interaction between pb-centers andNO2 Molecules Adsorbed on the Silicon Surface |
| Authors |
F. Ptashchenko |
| Issue |
Volume 10, Year 2018, Number 3 |
| Pages |
03019-1 - 03019-7 |
| Title |
Electronics Properties of Monoclinic HfO2 |
| Authors |
Abdelkrim Mostefai, Smail Berrah, Hamza Abid |
| Issue |
Volume 10, Year 2018, Number 6 |
| Pages |
06026-1 - 06026-4 |
| Title |
A DFT Study of Hydrogen Adsorption on h-BN: Boron Doping Effects |
| Authors |
I.K. Petrushenko |
| Issue |
Volume 11, Year 2019, Number 2 |
| Pages |
02024-1 - 02024-5 |
| Title |
Single-walled Boron Nitride Pores as Media for Hydrogen Storage: DFT and IGM Study |
| Authors |
I.K. Petrushenko |
| Issue |
Volume 11, Year 2019, Number 4 |
| Pages |
04016-1 - 04016-7 |
| Title |
Electronic Properties of Tetrataenite L10 FeNi at Earth’s Core Conditions |
| Authors |
N.Y. Pandya, Adwait D. Mevada, P.N. Gajjar |
| Issue |
Volume 12, Year 2020, Number 1 |
| Pages |
01021-1 - 01021-6 |
| Title |
The Physicochemical Characteristics of Silicon-Germanium Nanoclusters |
| Authors |
I. Zitouni, K.E. Aiadi, O. Bentouila, M. Benaida, H. Bouguettaia, Z. Ayat |
| Issue |
Volume 12, Year 2020, Number 5 |
| Pages |
05001-1 - 05001-5 |
| Title |
First Principles Study of Rare Earth Mononitrides ScN and YN under Pressure |
| Authors |
R. Yagoub, A. Hadjfatah, S. Louhibi-Fasla, S. Daoud, S. Bahlouli, A. Haichour, C. Zegadi |
| Issue |
Volume 12, Year 2020, Number 5 |
| Pages |
05009-1 - 05009-5 |
| Title |
Lattice Dynamic and Thermophysical Properties of AlSi (Silumine) Alloy: A DFT Study |
| Authors |
R.K. Suthar, N.Y. Pandya, Adwait D. Mevada, P.N. Gajjar |
| Issue |
Volume 13, Year 2021, Number 1 |
| Pages |
01013-1 - 01013-6 |
| Title |
Hydrogen Physisorption on BNC Heterostructures: A Systematic Theoretical Study |
| Authors |
D.V. Bogdanovich, A.I. Tsarkova, I.K. Petrushenko |
| Issue |
Volume 13, Year 2021, Number 4 |
| Pages |
04026-1 - 04026-9 |
| Title |
Ab Initio Study of Electronic, Magnetic and Optical Properties of CuRh2O4 Spinel: First Principles Calculation |
| Authors |
Radia Bencheikh, Karima Belakroum, Yamina Benkrima |
| Issue |
Volume 13, Year 2021, Number 5 |
| Pages |
05025-1 - 05025-5 |
| Title |
Study of the Structural and Electronic Properties of MgO in the Wurtzite Phase Using the Density Functional Theory |
| Authors |
Y. Benkrima, A. Souigat, A. Achouri, M.E. Soudani, Y. Chaouche, Z. Korichi, D. Slimani |
| Issue |
Volume 14, Year 2022, Number 1 |
| Pages |
01003-1 - 01003-5 |
| Title |
Ab Initio Study of the Electronic and Optical Properties of ZnO and BeO: First Principles Calculations |
| Authors |
Y. Benkrima, Y. Chaouche, A. Souigat, Z. Korichi, M.E. Soudani, D. Slimani, A. Benameur |
| Issue |
Volume 14, Year 2022, Number 1 |
| Pages |
01034-1 - 01034-4 |
| Title |
Thermal Properties of EuO, DyO and GdO Compounds |
| Authors |
Uma Shankar Sharma, Pankaj Kumar Mishra, Jyoti Mishra, Ranjeet Brajpuriya |
| Issue |
Volume 14, Year 2022, Number 2 |
| Pages |
02027-1 - 02027-4 |
| Title |
Electronic Properties of α-Al2O3 |
| Authors |
Abdelkrim Mostefai |
| Issue |
Volume 14, Year 2022, Number 3 |
| Pages |
03025-1 - 03025-4 |
| Title |
Charge Density and Density of States (DOS) of Monoclinic ZrO2 Using Meta-GGA DFT Functional |
| Authors |
Abdelkrim Mostefai |
| Issue |
Volume 14, Year 2022, Number 3 |
| Pages |
03026-1 - 03026-4 |
| Title |
Structural, Magnetic and Optical Properties of PtAun (n = 1-9) Clusters Using Density Functional Theory |
| Authors |
Y. Benkrima, A. Souigat, M.E. Soudani, A. Achouri, Z. Korichi, M.S.E. Bougoffa |
| Issue |
Volume 14, Year 2022, Number 4 |
| Pages |
04011-1 - 04011-5 |
| Title |
Theoretical Study of the Spinel Structure of CuCr2O4 in the Tetragonal Phase Using Density Functional Theory |
| Authors |
Radia Bencheikh, Karima Belakroum |
| Issue |
Volume 14, Year 2022, Number 5 |
| Pages |
05030-1 - 05030-7 |
