Volume 23 (2023)
Volume 22 (2022)
Volume 21 (2021)
Volume 20 (2020)
Volume 19 (2019)
Volume 18 (2018)
Volume 17 (2017)
Volume 16 (2016)
Volume 15 (2015)
Volume 14 (2014)
Volume 13 (2013)
Volume 12 (2012)
Volume 11 (2011)
Volume 10 (2010)
Volume 9 (2009)
Volume 8 (2008)
Volume 7 (2007)
Volume 6 (2006)
Volume 5 (2005)
Volume 4 (2004)
Volume 3 (2002)
Volume 2 (2000)
Volume 1 (1996)
g-SiC and g-SiC2 Siligraphenes as two Multifunctional H2S Sensing Materials
Articles in Press, Accepted Manuscript, Available Online from 04 February 2024
Engineering energy gap of the carbon saturated nanowire and investigating the ammonia molecule doping effects by using the initial calculations (Ab initio)
Volume 19, Issue 2, September 2019, Pages 241-248
Investigation of effect of magnetic ordering on structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu) using ab initio method
Volume 19, Issue 2, September 2019, Pages 263-272
Elastic constants and their variation by pressure in the cubic PbTiO3 compound using IRelast computational package within the density functional theory
Volume 19, Issue 1, June 2019, Pages 37-48
Investigation of electron correlation effects in armchair silicene nanoribbons
Volume 19, Issue 1, June 2019, Pages 49-59
Study of the stability and interwall distance of (6,0)@(n,0) double-walled silicon carbide nanotubes by the vdW-DFT method
Volume 18, Issue 4, March 2019, Pages 705-711
Calculation of hyperfine coupling constant and the g tensor of alanine radicals at different crystal temperatures based on Density Functional Theory (DFT)
Volume 18, Issue 4, March 2019, Pages 713-721
Carbon K edge structures of molecular crystals from first-principles: A comparison between phenanthrene and anthracene
Volume 18, Issue 3, December 2018, Pages 490-490
Engineering energy gap of the carbon saturated nanowire and investigation of ammonia molecule doping effects by using initial calculations (Ab initio).
Volume 18, Issue 2, September 2018, Pages 313-320
Crystal field and Ce3+ ion energy levels of CeCl3 compound
Volume 18, Issue 1, June 2018, Pages 105-113
Investigation of solution effect on the EPR spectrum of alanine radicals based on density functional theory
Volume 18, Issue 1, June 2018, Pages 139-150
Simulation of the physical properties of BaMnxMo1-xO3 (x=0, 0.5, 1) perovskite compound using density functional theory and Hubbardâs correction
Volume 18, Issue 1, June 2018, Pages 151-156
Feasibility of the use of ( ZnxHg(1-x)Te ternary compound as a spectrometer of nuclear radiations
Volume 18, Issue 1, June 2018, Pages 157-162
Ab- initio investigation of physical properties of KTP and RTP
Volume 17, Issue 3, September 2017, Pages 411-419
Magnetic properties of zigzag (0,9) GaAs nanotube doped with 3d transition metals
Volume 16, Issue 1, June 2016, Pages 35-44
Ab initio study of the structural, magnetic, and electronic properties of copper and silver clusters and their alloys with one palladium atom
Volume 14, Issue 4, January 2015, Pages 249-260
Investigation into the temperature dependence of isotropic- nematic phase transition of Gay- Berne liquid crystals
Volume 14, Issue 3, December 2014, Pages 57-65
Study of the electronic and magnetic properties of A2Ti2O7 (A=Er, Tb)
Volume 14, Issue 1, April 2014, Pages 33-44
Nano structures of amorphous silicon: localization and energy gap
Volume 13, Issue 3, October 2013, Pages 283-287
Theoretical study of the structural stability for fcc-CHx phases using density functional theory
Volume 11, Issue 2, September 2011, Pages 129-138
Topological description of the half-metallic transition of MnAs
Volume 11, Issue 2, September 2011, Pages 219-226
C atom endohedral doping effect on the bond lengths in the crystal structure of fcc-C60
Volume 10, Issue 4, March 2011, Pages 301-308
The effect of oxygen impurity on the electronic and optical properties of calcium, strontium and barium chalcogenide compounds
Volume 10, Issue 3, December 2010, Pages 187-196
Study of some electronics properties of new superconductor Sr2VO3FeAs in ground state
Volume 10, Issue 2, September 2010, Pages 125-129
Band structure of fcc-C60 solid state crystal study
Volume 9, Issue 2, September 2009, Pages 137-147