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
Theoretical investigation of using armchair and zigzag carbon nano rings for DNA sequencing based on density functional theory
Volume 22, Issue 4, March 2023, Pages 879-897
Ab initio study of electronic and thermoelectric properties of a new B2CO monolayer
Volume 22, Issue 2, September 2022, Pages 305-313
Investigation of electron transport properties in fullerene and fullerane nanocages
Volume 21, Issue 3, November 2021, Pages 441-448
Comparison of mechanical, optical and electronic transport properties of isotropic and anisotropic borophosphene
Volume 20, Issue 4, March 2021, Pages 759-771
Effect of doping Si on the structural, electronic and optical properties of GaAs nanostructures
Volume 20, Issue 3, December 2020, Pages 501-513
Investigation of the mechanical and electronic transport properties of graphene-like borophene oxide under small strains
Volume 20, Issue 2, September 2020, Pages 225-234
Investigation of electronic and optical properties of novel graphene-like GeS2 monolayer by density function theory
Volume 20, Issue 2, September 2020, Pages 259-265
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
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
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
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
Band structure of fcc-C60 solid state crystal study
Volume 9, Issue 2, September 2009, Pages 137-147