.effects of water on the formation and the stability of interfacial nano-bubble: a molecular dynamic simulation - صفحه:0-0

    a new carbon allotrope: 2d twin graphene - صفحه:0-0

    a study on the releasing process of benzotriazole from magnetized halloysite nanocapsules - صفحه:0-0

    a theoretical study of solvent effects on vibrational frequencies of glycine - صفحه:0-0

    a theoretical study on the enantiomeric selectivity of β-cyclodextrin enantiomeric towards 1-(4 bromophenyl) ethanol enantiomers - صفحه:0-0

    adsorption of co molecules on the pure and vn-doped bn nanotubes - صفحه:0-0

    adsorption of commonly drug from aqueous solution by natural and modified zeolite - صفحه:0-0

    adsorption of some monoatomic, diatomic and triatomic gases on graphene - صفحه:0-0

    an inexpensive glucose biosensor based on a mixed culture microbial fuel cell (mfc) for bod monitoring applications - صفحه:0-0

    anisotropic wetting characteristics of water droplet on phosphorene: a molecular dynamics simulation approach - صفحه:0-0

    anticancer drug imatinib/β-cyclodextrin inclusion complex to enhance solubility and bioavailability: molecular modeling studies - صفحه:0-0

    b-heterocyclic plumbylenes: a computational study - صفحه:0-0

    calculation of non-adiabatic coupling terms between the ground x²a1 and first excited a²b2 electronic states of no2 molecule - صفحه:0-0

    calculation of structural and electronic properties of cab2 in the orthorhombic phase - صفحه:0-0

    calculation of the theory of thermodynamic properties of ionic liquids in pure and mixed state - صفحه:0-0

    comparison of 1,2-ethanediol synthesis efficiency through formose reaction in thepresence of aerosil and montmorillonite mineral catalysts - صفحه:0-0

    comparison of 1,2-ethanediol synthesis efficiency through formose reaction in the presence of aerosil and montmorillonite mineral catalysts - صفحه:0-0

    comparison of thermal theory and density theory of flame propagation for evaluating the flammability limits of fuel-air-diluent mixtures - صفحه:0-0

    computational design of aptamer-based biosensors for the detection of small molecule toxins - صفحه:0-0

    computational study of external electric field effect on the electronic properties of a simple molecular wire - صفحه:0-0

    computational study of the synergistic effect of n, s atoms co-doping into monolayer graphdiyne nanosheet on hydrogen adsorption and storage - صفحه:0-0

    conical intersection and non-adiabatic dynamics on potential energy surfaces of h2s+ ion - صفحه:0-0

    density functional theory studies on the antioxidant mechanism of fucoidan polysaccharide extracted from seaweed - صفحه:0-0

    density functional theory study of formamide adsorption on the pristine (8,0)carbontube - صفحه:0-0

    development of molecularly imprinted polymer on ferric oxide nanoparticles modified electrode as electrochemical sensor for detection of the amount of human chorionic gonadotropin (hcg) - صفحه:0-0

    dft study of promote hydrogen adsorption by borophene nanostructure decorated with sc atom - صفحه:0-0

    dft study of structural, electronic and uv-vis spectra properties of oligopyrrole chains as candidate conducting materials - صفحه:0-0

    dft study on free radical scavenging activity of new kind of polysaccharide molecule in solution phase - صفحه:0-0

    effect of cu content on structural properties of ni-cu @ a-c: h thin films - صفحه:0-0

    effect of cα -methylated residue on the folding behavior of p53 peptide: a molecular dynamics study - صفحه:0-0

    effect of hydrophobic surface of ethyl-bridged periodic mesoporous organosilica functionalized sulfonic acid in the catalytic performance and product selectivity - صفحه:0-0

    effect of temperature and copper ion on guaifenesin-dna interaction: calculation of thermodynamic parameters - صفحه:0-0

    electrochemical insight into the cytochrome c adsorption on graphene and graphene oxide/self assembled monolayer surfaces and study of its electron transfer kinetics - صفحه:0-0

    electrochemical sensitive detection of a β-blocker drug using a nanostructuredelectrode based on a ferrite/graphene oxide nanocomposite - صفحه:0-0

    electrochemical sensitive detection of a β-blocker drug using a nanostructured electrode based on a ferrite/graphene oxide nanocomposite - صفحه:0-0

    enhancement efficiency of quantum dot perovskite solar cell by plasmonic nanoparticles - صفحه:0-0

    enol-keto swching schif base ligand salicylidenemethyl furylamine - صفحه:0-0

    evaluation of the mechanism of interaction of hydrogen peroxide with dna bases - صفحه:0-0

    heavy metal removal by modified cellulose nano fibers(mcnf) - صفحه:0-0

    implementation of analogy method to enhance students’ chemistry self- regulated learning skills - صفحه:0-0

    inclusion complexes between β-cyclodextrin as a nanocarrier with thymol: molecular modeling studies - صفحه:0-0

    influence of annealing processing on of nanoparticle size on surface of czo films - صفحه:0-0

    interaction of 5-fluorouracil anti-cancer drug& b 12 p 12 with adenine: dft, aim, elf and nbo study - صفحه:0-0

    interaction of 5-fluorouracil anti-cancer drug& b12p12 with adenine: dft, aim, elfand nbo study - صفحه:0-0

    interaction of tegafur drug with bn, aln, and cn nanotubes as drug delivery systems - صفحه:0-0

    intermolecular potential energy surface for the x-��+ system - صفحه:0-0

    investigation of intermolecular potential energy surface of co-ocs system - صفحه:0-0

    investigation of spin coating technique on efficiency of zn(ii) doped- lacro3 perovskite solar cells - صفحه:0-0

    investigation of structural and electronic properties of gan nanosheet - صفحه:0-0

    investigation of structural and electronic properties of srs by fp-lapw method - صفحه:0-0

    investigation of structure and chemical properties of hydroxycarbamide using quantum chemical calculations - صفحه:0-0

    investigation of the equilibrium parameters of vinyl cyanide as an astrochemical molecule using quantum calculations - صفحه:0-0

    investigation of transport properties in pure sinw and sinw doped with boron - صفحه:0-0

    kinetic of synthesis pincer ligand based on thiol precursor - صفحه:0-0

    kinetics study of catalytic ozonation process using nio-fe2o3 catalyst for treatment of food industrial effluent - صفحه:0-0

    metal-ligand bond strength in symmetric of copper (ii) β-diketone complexes by uv and td-dft approaches - صفحه:0-0

    modification of the structural and electronic properties of ni decorated borophene for hydrogen adsorption: a dft study - صفحه:0-0

    molecular dynamics simulation of mixture of ionic liquid 1-ethyl-3- methyl imidazolium methyl sulfate and water - صفحه:0-0

    molecular dynamics study of the graphene/ionic liquid interface - صفحه:0-0

    molecular features of interaction between vegfr-2 and linifanib and semaxanib using a combination of computational methods - صفحه:0-0

    molecular structure at the interfaces of submonolayer thin films of sexithiophene - صفحه:0-0

    monitoring dynamics of membrane protein in lipid bilayer environment by solid‐state nmr and molecular dynamics simulations - صفحه:0-0

    multivariate optimization method for designing an electrochemical selective nanostructured sensor in analysis of tyrosine - صفحه:0-0

    nanosensor of anatase-tio2 nanoparticles for benzopyran removal fromenvironment - صفحه:0-0

    new optimally tuned range-separated hybrids for singlet fission relevant energetics - صفحه:0-0

    novel electrocatalysts for hydrazine fuel cells: enhanced power generation by optimizing bimetallic ni-co nanoparticles on nickel foam (nf)/ reduced graphene oxide as anode and mixed metal oxides as cathode - صفحه:0-0

    oxygen permeation through graphdiyne membrane - صفحه:0-0

    photocatalytic activity of co-doped tio2 nanoparticles under uv and visible light - صفحه:0-0

    photophysical properties of thermally activated delayed fluorescence emitters from the perspective of single-hybrid and double-hybrid density functional theory - صفحه:0-0

    poly (ester-ether-urethane) networks and their interaction with human growth hormone: conductometry - صفحه:0-0

    prebiotic synthesis of ethylene glycol through formose reaction in methanolic medium - صفحه:0-0

    prediction of oxidation potential for a series of oligopyrroles in thf solvent using dft calculations - صفحه:0-0

    preparation of nimo/γ -al 2 o 3 catalyst for the oxidative desulfurization of fuel - صفحه:0-0

    proposing a trajectory-based algorithm to solve the quantum-classical liouville equation in the mapping basis - صفحه:0-0

    protein-ligand docking in melatonin receptor - صفحه:0-0

    puckering angle in charged b-heterocyclic divalents: a computational dft study - صفحه:0-0

    puckering angle in charged b-heterocyclic divalents: a computational dft study - صفحه:0-0

    quantum chemical study of the jahn – teller effect on the distortions of xo 2 (x = o, s, se, te) systems - صفحه:0-0

    removal of carbon dioxide by phosphonium-based amino acid ionic liquids: molecular dynamics simulation - صفحه:0-0

    room temperature selective (photo) catalytic oxidation of ethanol to acetaldehyde over pt/wo3 - صفحه:0-0

    screen-printed electrode modified with graphene quantum dots for detection of acetylcholine - صفحه:0-0

    semi-industrial synthesis of magnetic fe3o4@sio2@me nanopowder to visualization of latent fingerprints - صفحه:0-0

    semiempirical quantum calculations of chiral pillararene decorated with alpha- hydroxyglycine for enantioseparation of d-glucose and l-glucose - صفحه:0-0

    simultaneous voltammetric determination of acetaminophen and isoniazid by using magnetic nanocomposite modified screen printed graphite electrode - صفحه:0-0

    spectroscopic study of the applications of encapsulation of fenofibrate molecules with β- cyclodextrin in aqueous media - صفحه:0-0

    spectroscopy study on encapsulation of vitamin e (ve) as fat-soluble antioxidant via formation of beta cyclodextrin inclusion complexes - صفحه:0-0

    structural and dynamic properties of cesium metal by molecular dynamics simulation - صفحه:0-0

    structural and optical study of ni-cu thin films with the different copper percentage - صفحه:0-0

    study of electronegative effect of halogen substations on thermodynamic values of ptcda molecule for use in lithium batteries - صفحه:0-0

    study of photocatalytic degradation of acid red 1 by sm-doped cds under visible light irradiation from kinetics perspective - صفحه:0-0

    study of some magnetic properties of cobalt zinc ferrite nanoparticles - صفحه:0-0

    study of structure and study of chemical reactions of flucytosine and cytosine - صفحه:0-0

    study of the peptide nucleic acid (pna)-rna interactions using molecular dynamics simulation - صفحه:0-0

    study of tunneling electron transfer on graphene nanoplatelet /self assembled monolayer modified gold electrode by electrochemical techniques - صفحه:0-0

    symmetry breaking in the linear configurations of sx2 (x=f, cl, br, i): pseudo-jahn- teller effect parameters, hardness and electronegativity - صفحه:0-0

    syntheses, characterization of sno2/zno nanocomposite as a visible light-activated photocatalyst - صفحه:0-0

    synthesis and characterization of ni–co ferrite composite oxide nanocrystals as a reactive photocatalyst of phenol in aqueous solutions - صفحه:0-0

    synthesis of a modified mesoporous silica for the targeted delivery of quercetin in buffer solution (ph=5.3) - صفحه:0-0

    synthesis of nitrogen-doped carbon microspheres containing palladium nanoparticles and its application in hydrogen release using formic acid - صفحه:0-0

    synthesis of nitrogen-doped carbon microspheres containing cobalt nanoparticles and its application in hydrogen release - صفحه:0-0

    synthesis of piezoelectric nanomaterials and kinetics investigation of theirperformance for degradation of organic pollutants under ultrasonicvibrations - صفحه:0-0

    synthesis of silver nanoparticles in aqueous and organic media and their application in increasing the efficiency of dye sensitized solar cells - صفحه:0-0

    synthesis of solar light responsive nanocatalysts and investigation of their performance in water splitting reaction - صفحه:0-0

    the adsorption of li and li + on silicene sheet: a dft study - صفحه:0-0

    the adsorption of li and li+ on silicene sheet: a dft study - صفحه:0-0

    the effect of alkyl vs halogen side groups on the stability of boron- heterocyclic carbenes: a computational dft study - صفحه:0-0

    the effect of electrode materials on i–v characteristics behavior of 2,2,6,6-tetramethyl3,5-heptanedione (a β-diketone) as molecular switch - صفحه:0-0

    the effect of solvent evaporation time on the properties and performance of polymermembranes based on a mixture of polyvinyl chloride and polymethyl methacrylate - صفحه:0-0

    the effect of wall structure on sound - صفحه:0-0

    the interaction of phosgene gas with the pristine and b & al doped si12c12: a dft and td-dft method - صفحه:0-0

    the investigation of la(iii)ions-doping effect on band gap of bifeo3 perovskite - صفحه:0-0

    the nature of m-l bond in some b-heterocyclic carbenes in their complexes with g11 transition metals: a theoretical survey - صفحه:0-0

    the quantum and computational investigation of adsorption of glycine on the surface of c12si12 nanocluster in pristine and n, b doped states. - صفحه:0-0

    theoretical aspects of bonds in the complexes benzoxapine derivatives with phosphoinositide -3- kinase delta - صفحه:0-0

    theoretical investigation of structural and electronic properties of azophenol molecular switches and its derivatives - صفحه:0-0

    theoretical investigations of the pyrimidine derivatives - صفحه:0-0

    theoretical studies of interaction of small cobalt clusters with oxygen, hydrogen and ethylene - صفحه:0-0

    theoretical study of the co dissociation mechanism in [(ƞ 5 -c 5 h 5 ) fe (co) 2 (ƞ 1 -c 5 h 5 )] - صفحه:0-0

    thermodynamic evaluation of the effect of cu2+ ion on the interaction of ribavirin drug with bsa - صفحه:0-0

    thermodynamic study of zno/sba-16 as drug delivery system - صفحه:0-0

    tramadol-mu-opioid receptor molecular docking - صفحه:0-0

    transition bimetal mof embedded carbon felt as anode electrode for ethanol fuel cell - صفحه:0-0

    use of compartmental model for evaluation of 137 cs transfer and absorption coefficients - صفحه:0-0

    validation of potential energy distribution by veda in vibrational assignment some of copper (ii) complexes with β-diketone ligands - صفحه:0-0

    zif-67 derived cobalt sulfide/g-c 3 n 4 nanohybrid as catalyst for electroreduction ofchloramphenicol - صفحه:0-0