Effect of Fluorine substitution on the photobiological and electronic properties of Resveratrol crystal structure: A first- principles study ' in 2022'

Comparative DFT calculations on Bismuth-based compounds: new connection between optoelectronic properties and 209Bi and 51 V NMR and EFG ' in 2022'

Optical, electronic structure, magnetic, NMR and hyperfine field properties of BiMPO5 and BiM2PO6 compounds (M=Ni, Co, Mn, Cu): a comparative DFT study ' in 2022'

Optoelectronic properties of La2CoO4 and LaSrCoO4 Ruddlesden-Popper compounds: Comparative experimental and DFT studies by GGA/MBJ + U ' in 2022'

The electronic structure of graphene like C20H10CdN6O8.5 metal–organic nanotube (MONT) based on FP‑LAPW: for optoelectronic and thermoelectric devices ' in 2022'

DFT investigations of AgMC7H10N2 (M = Cl, Br, and I) metal organic molecules: NMR, optoelectronic, and transport properties ' in 2022'

Fluorinated derivatives of tetrahydroaltersolanol molecule on COVID‑19, HIV, and HTLV protease by DFT and molecular docking approaches ' in 2022'

Thermoelectric, optoelectronic and magnetic properties of BaLn2ZnO5 (Ln = Eu, Pr, Sm) insulators by GGA/ mBJ + U exchange- correlation approaches ' in 2022'

Highly efficient one pot palladium-catalyzed synthesis of 3,5-bis (arylated) pyridines: Comparative experimental and DFT studies ' in 2021'

Comparative studies of C7H10N2 pyridine and C7H10N2S pyrrole for optoelectronic applications by mBJ approach ' in 2021'

Optoelectronic and thermoelectric properties of DMAP flexible compound for electronic devices by DFT ' in 2021'

Stabilization of Supramolecular Assembly of N‐Substituted Benzylidene Acetohydrazide Analogs by Non‐Covalent Interactions: A Concise Experimental and Theoretical Approach ' in 2020'

Stabilization of Supramolecular Assembly of N‐Substituted Benzylidene Acetohydrazide Analogs by Non‐Covalent Interactions: A Concise Experimental and Theoretical Approach ' in 2020'

Glutathione-capped core-shell structured magnetite nanoparticles: Fabrication and their nonlinear optical characteristics ' in 2020'

31P nuclear magnetic resonance, optical and thermal spectra in MP3 (M= Ir, Co, Rh, Ni) compounds by DFT ' in 2020'

Electronical and thermoelectric properties of half-Heusler ZrNiPb under pressure in bulk and nanosheet structures for energy conversion ' in 2019'

Crystalline network form of Gefitinib molecule stabilized by non–covalent interactions: DFT–D calculations ' in 2019'

Theoretical investigations of thermoelectric phenomena in binary semiconducting skutterudites ' in 2019'

Cobalt phthalocyanine polymer for optoelectronic and thermoelectric applications ' in 2019'

Electronic structure and thermal properties of bulk and nanolayer of TAlO2 (T = Cu, Ag and Au) delafossite oxides ' in 2019'

Structural, optoelectronic and thermoelectric properties of FeSb2 under pressure: Bulk and monolayer ' in 2019'

Investigation of 205Tl NMR shielding, structural, and electronical properties in thallium halides by applying PBE‐ GGA, YS‐PBE0 and mBJ functionals ' in 2019'

Synthetic, spectroscopic, SC-XRD and nonlinear optical analysis of potent hydrazide derivatives: A comparative experimental and DFT/TD-DFT exploration ' in 2019'

Comparison between optoelectronic spectra and NMR shielding in tellurium based compounds: a FP-LAPW study ' in 2019'

Theoretical study of crystalline network and optoelectronic properties of erlotinib hydrochloride molecule: non-covalent interactions consideration ' in 2019'

Effect of Substituted Ca on the Thermoelectric and Optoelectronic Properties of NaRh2O4 Under Pressure ' in 2018'

Theoretical and experimental studies of La- substituted In2O3 nanolayer via the modified Becke-Johnson (mBJ) potential ' in 2018'

Structural, electronic and thermoelectric properties of bulk and monolayer of Sb2Se3 under high pressure: By GGA and mBJ approaches ' in 2018'

Structural, electronical and thermoelectric properties of CdGa2S4 compound under high pressures by mBJ approach ' in 2017'

Electronic and Optical Properties of Gama- and Teta-Alumina by First Principle Calculations ' in 2017'

Comprehensive SPHYB and B3LYP-DFT Studies of Two Types of Ferrocene ' in 2017'

127I NMR calculations in binary metal iodides by PBE-GGA, YS-PBE0 and mBJ exchange correlation potentials ' in 2017'

(Theoretical investigation of thermoelectric and elastic properties of intermetallic compounds ScTM (TM=Cu, Ag, Au and Pd ' in 2017'

Optoelectronic and thermoelectric response of Ca5Al2Sb6 to shift of band gap from direct to indirect ' in 2017'

125Te NMR shielding and optoelectronic spectra in XTe3O8 (X=Ti, Zr, Sn and Hf) compounds: Ab initio calculations ' in 2017'

Comparative study of thermoelectric properties of Co based filled antimonide skutterudites with and without SOC effect ' in 2017'

(Effects of chemical potential on the thermoelectric performance of alkaline-earth based skutterudites (AFe4Sb12, A=Ca, Sr and Ba ' in 2017'

Role of hydrogen bonding in establishment of a crystalline network of Cu (II) complex with hydrazone‑derived ligand: optoelectronic studies ' in 2017'

Optoelectronic and structural studies of a Ni(II) complex including bicyclic guanidine ligands: DFT calculations ' in 2017'

Anisotropic thermoelectric properties of Sr5Sn2As6 compound under pressure by PBE-GGA and mBJ approaches ' in 2017'

Role of the Crystal Lattice Constants and Band Structures in the Optoelectronic Spectra of CdGa2S4 by DFT Approaches ' in 2017'

Evaluation of Non-covalent Binding Energies and Optoelectronic Properties of New CuBr2(C6H7N)2 Complex: DFT Approaches ' in 2017'

Thermoelectric and phononic properties of (Gd, Tb) MnO3 compounds: DFT calculations ' in 2017'

Electronic, magnetic and optical properties of reduced hybrid layered complex Ni(pyz)V4O10 (pyz=C4H4N2) by first-principles ' in 2016'

Structural, electronic, optical, vibrational and transport properties of CuBX2 (X = S, Se, Te) chalcopyrites ' in 2016'

The Influence of Oxygen Substitution on the Optoelectronic Properties of ZnTe ' in 2016'

DFT studies for optoelectronic properties of pure L-alanine and doped with Li ' in 2016'

Electronic Structure of Crystalline Buckyballs: fcc-C60 ' in 2016'

The optical spectrum of ternary alloy BBi1−xAsx ' in 2016'

First-principles studies of pure and fluorine substituted alanines ' in 2016'

Electronic Band Structures of the Highly Desirable III–V Semiconductors: TB-mBJ DFT Studies ' in 2016'

DFT-mBJ studies of the band structures of the II-VI semiconductors ' in 2015'

Electronic band structures of binary skutterudites ' in 2015'

Optoelectronic properties of XIn2S4 (X = Cd, Mg) thiospinels through highly accurate all-electron FP-LAPW method coupled with modified approximations ' in 2015'

Elastic and mechanical properties of lanthanide monoxides ' in 2015'

Investigation of optoelectronic properties of pure and Co substituted a-Al2O3 by Hubbard and modified Becke–Johnson exchange potentials ' in 2015'

Structural and thermoelectric properties of pure and La, Y doped HoMnO3 for their use as alternative energy materials ' in 2015'

Ab initio studies of optoelectronic properties of fluorine-substituted ferrocene ' in 2015'

Effects of IIIB transition metals on optoelectronic and magnetic properties of HoMnO3: A first principles study ' in 2015'

Evaluation of magneto-optic properties of LaXPO(X = Mn, Fe, Ni) new superconductors by DFT ' in 2015'

Antiperovskite compounds SbNSr3and BiNSr3: Potential candidates for thermoelectric renewable energy generators ' in 2015'

Magneto-electronic studies of anti-perovskites NiNMn3 and ZnNMn3 ' in 2014'

Thermoelectric properties of SbNCa3 and BiNCa3 for thermoelectric devices and alternative energy applications ' in 2014'

Detailed DFT studies of the band profiles and optical properties of antiperovskites SbNCa3 and BiNCa3 ' in 2014'

Elastic constants of cubic crystals ' in 2014'

Thermoelectricity and superconductivity in pure and doped Bi2Te3 with Se ' in 2014'

Structural, electronical and thermal properties of XVO4 (X = Y, Gd) vanadate crystals ' in 2014'

Density functional studies of magneto-optic properties of CdCoS ' in 2014'

Optoelectronic Properties of KDP by First Principle Calculations ' in 2013'

First principle optoelectronic studies of visible light sensitive CZT ' in 2013'

Conversion of optically isotropic to anisotropic CdSxSe1-x (0

Electronic band structure of LaCoO3/Y/Mn compounds ' in 2013'

Conversion of optically isotropic to anisotropic CdSxSe1-x (0 < x< 1) alloy with S concentration ' in 2013'

Optoelectronic Properties of Pure and Co Doped Indium Oxide by Hubbard and modified Becke-Johnson Exchange Potentials ' in 2013'

An Insight into the Structural, Electronic and Transport Characteristics of XIn2S4 (X=Zn, Hg) Thiospinels using a Highly Accurate All-Electron FP-LAPW+Lo Method ' in 2013'

Structural and optoelectronic properties of the zinc titanate perovskite and spinel by modified Becke–Johnson potential ' in 2013'

Comparison of the electronic band profiles and magneto-optic properties of cubic and orthorhombic SrTbO3 ' in 2013'

Optoelectronic Properties of KDP by First Principle ' in 2013'

Electronic and optical properties of mixed Be-chalcogenides ' in 2013'

Ab initio calculations of structural, optical and thermoelectric properties for CoSb3 and ACo4Sb12 (A = La, Tl and Y) compounds ' in 2012'

Transition from optically inactive to active Mg-chalcogenides: A first principle study ' in 2012'

Optoelectronic properties of LixAxNbO3 (A=Na, K,Rb,Cs,Fr)crystals ' in 2012'

AB INITIO STUDY OF OPTOELECTRONIC PROPERTIES OF SPINEL ZnAl2O4 BEYOND GGA AND LDA ' in 2012'

Electronic Band Structure and Optical Parameters of Spinel SnMg2O4 by Modified Becke–Johnson Potential ' in 2012'

Quasiparticle optoelectronic properties of pure and doped indium oxide ' in 2012'

Effect of phase transition on the optoelectronic properties of Zn1-xMgxS ' in 2012'

The effect of Hubbard potential on effective mass of carriers in doped Indium oxide ' in 2012'

First principle study of cubic perovskites:AgTF3 (T=Mg, Zn) ' in 2011'

Structural and Spin Polarization Effects of Cr, Fe and Ti Elements on Electronical Properties of α–Al2O3 by First Principle Calculations ' in 2011'

Robust Half-Metallicity in a Chromium-Substituted AlN ' in 2011'

Structural and Optoelectronic Properties of Cubic CsPbF3 for Novel Applications ' in 2011'

The effect of magnetic impurity on the electronical and optical properties of corundum ' in 2011'

Effect of substituted IIIB transition metals on the energy gap of α–Al2O3 by first- principle calculations ' in 2006'

Optical properties of pure and transition metal-doped indium oxide ' in 0'

Effect of substituted IIIB transition metals on the energy gap of alpha-Al2O3 by first- principle calculations ' in 0'

Electronic and thermoelectric properties of pure and alloys In2O3 transparent conductors ' in 0'

Potential performance of SiC and GaN based metal semiconductor field effect transisors ' in 0'

First principle study of optical properties of pure alpha-Al2O3 and La aluminates ' in 0'

Theoretical studies of the effect of Ti, Zr and Hf substitutions on the electronic properties of alpha-alumina ' in 0'

Effect of substituted IIIB transition metals on electronic properties of Indium Oxide by first principles calculations ' in 0'

Influence of La on electronic structure of alpha-Al2O3 High k-gate from first principle ' in 0'

Physical, chemical, biological and medicinal properties of materials based on DFT calculations ' in 2022'

1st International Conference and 4th Workshop on Materials Modeling and Simulation (ICWMMS-2022)

The Pressure-Induced effect on optoelectronic and thermoelectric properties of LaVO4- a First-principles study ' in 2022'

Annual Meeting of the Physical Society of Taiwan 2022

بررسی خواص اپتوالکترونیکی ترکیب CdGa2S4 تحت فشار ' in 2017'

سیزدهمین کنفرانس ماده چگال انجمن فیزیک ایران

INVESTIGATION OF OPTICAL PROPERTIES OF L-HISTIDINE CHLORIDE MONOHYDRATE ' in 2014'

هفدهمین کنفرانس شیمی فیزیک ایران

INVESTIGATION OF BOND STRUCTURE AND ELECTRONIC PROPERTIES OF PURE AND LITHIUM DOPED L-ALANINE CRYSTALS ' in 2014'

هفدهمین کنفرانس شیمی فیزیک ایران

INVESTIGATION OF BOND STRUCTURE AND ELECTRONIC PROPERTIES OF L-HISTIDINE CHLORIDE MONOHYDRATE ' in 2014'

هفدهمین کنفرانس شیمی فیزیک ایران

INVESTIGATION OF OPTICAL PROPERTIES OF PURE AND LITHIUM DOPED L-ALANINE CRYSTALS ' in 2014'

هفدهمین کنفرانس شیمی فیزیک ایران

در جستجوی مواد ترموالکتریک جدید بر پایه منگنایتGdMnO3 ' in 2013'

یازدهمین کنفرانس ماده چگال انجمن فیزیک ایران

بررسی خواص الکترونی و ترموالکتریکیTbMnO3 ' in 2013'

یازدهمین کنفرانس ماده چگال انجمن فیزیک ایران

بررسی اصول اولیه خواص الکترونی و اپتیکی ترکیبات (RMnO3(R=Gd,Dy ' in 2013'

یازدهمین کنفرانس ماده چگال انجمن فیزیک ایران

ساختار الكتروني و محاسبه ي گاف نواري تركيب γ-Al2O3 با استفاده از پتانسيل تبادليmBJ ' in 2012'

کنفرانس فیزیک ایران 1391

اثرات ناشي از اعمال ميدان الكتريكي خارجي در تركيب گاليم آرسنايد ' in 2012'

کنفرانس فیزیک ایران 1391

First principles study of electronic and effective mass of carriers in alloys In2O3 transparent conductors ' in 0000'

International Conference on Advanced Materials Modelling

Optical properties of KDP in tetragonal crystal structure ' in 0000'

6th International Conferenceon Photonics and Applications (ICPA6

Structural, electronical and optical properties of pure LiNbO3 in ferroelectric crystal structure and doped with V and Ta ' in 0000'

2010International Conference on Optical, Electronic and Electronical Materials

The effect of transition metals on electronical properties of nanocrystalline indium oxide films by experimental and theoretical approaches ' in 0000'

6th Nanoscience and Nanotechnology Conference (NanoTR-VI