All Stories

  1. N-doped carbon derived from citric acid fermentation biowaste as a support for NiFeCo LDH: An efficient catalyst for overall water splitting
  2. Fabrication of a novel and efficient electrocatalyst based on Co3S4/MnS/Ni3S2 yolk-shell hollow spheres coated with MoSe2 structure decorated on sulfur and nitrogen dual-doped reduced graphene oxide for the reduction of triiodide in dye-sensitized sola...
  3. A novel and simple electrocatalyst based on chromium ferrite (CrFe2O4) for efficient overall water splitting
  4. Study of fullerene C60 effect on Escherichia coli in presence of antibiotics
  5. N-oxidation and H-abstraction mechanism of Guanabenz and solvent effects, structural and conformational properties of Guanabenzoxide tautomers; A first principle DFT study
  6. Construction of aspartic acid -Fe MOF derived Fe3O4@NC implanted on rGO as a remarkably efficient catalyst for the oxygen and hydrogen evolution reactions
  7. Domino-like turn-on chemiluminescence amplification: Opening a gateway through proximal-imidazole species formation and metal-ligand complexation
  8. Sydnone Photochemistry: Formation of Nitrenes
  9. Design and fabrication of Ni-Mn-Co sulfides@NiCo2S4 structure anchored on nitrogen-doped carbon nanotubes as a sufficient and promising counter electrode for high-efficiency dye-sensitized solar cells
  10. First synthesis of the pyridiniumporphyrazinato oxo-vanadium sulfonic acid nitrate as an efficient reagent for selective nitration of aromatic derivatives by in situ generation of NO2 and the corresponding theoretical studies
  11. Introduction of phosphorus-doped CeO2 decorated with MoSe2 nanosheets anchored on nitrogen-doped carbon nanotubes for accelerating the triiodide reduction in dye-sensitized solar cells
  12. A new OER electrocatalyst based on WO3 decorated with Ni2CoS4
  13. 3D honeycomb porous sulfonated covalent organic polymer (PCOP) synthesized on carbon fabric at refrigerated temperature: supercapacitor and metal-free proton relay for water oxidation in alkaline and neutral media
  14. Design and construction of MoS2/Ni3S2 nanosheets decorated on multi-walled carbon nanotubes as a sustainable counter electrode for dye-sensitized solar cells: An experimental and computational investigation
  15. Synthesis and Characterization of a New Zwitterionic Phthalocyanine for Efficient Synthesis of Polyhydroquinoline and Chromene Derivatives
  16. Nitrile Imine Cyclizations and Rearrangements: N-Phenyl-C-styrylnitrile Imine and N-Phenyl-C-phenylethynylnitrile Imine
  17. Modeling of an efficient donor-π-acceptor-π organic solar cell: a first principle study of a hole–electron process by DFT and TD-DFT study
  18. Molecular modelling of fullerene C60 functionalized by nitric oxide for use in biological environment
  19. Ni0.5Co0.5WO4@f-MWCNTs/GO nanocomposite with improved supercapattery activity as the electrode for asymmetric supercapacitor device
  20. Experimental and computational investigation of multi-walled carbon nanotubes decorated by Co–Ni–Se@MoSe2 core–shell as a sustainable counter electrode for dye-sensitized solar cells
  21. Corrigendum: Synthesis and Application of Nano Vanadium‐Oxo Pyridiniumporphyrazinato Sulfonic Acid for Synthesizing Pyrazole and Dihydropyrano [2,3] pyrazole Derivatives
  22. Zwitterionic hydrogen-bonded organic framework (ZHOF): a metal-free water oxidation proton relay in alkaline and neutral media
  23. Catalytic synergism in Mn-heterostructured molybdenum oxysulfide hybridized with transition metal phosphides: A robust amorphous water oxidation catalyst
  24. An ideal ratiometric fluorescent probe provided by the surface modification of carbon dots for the determination of Pb2+
  25. Azulene–Naphthalene, Naphthalene–Naphthalene, and Azulene–Azulene Rearrangements
  26. Synthesis and Application of Nano Vanadium‐Oxo Pyridiniumporphyrazinato Sulfonic Acid for Synthesizing Pyrazole and Dihydropyrano [2,3] pyrazole Derivatives
  27. A DFT/TD-DFT study of [Amprenavir + C60] PET nanocomplex: feasibility of C60 fullerene application as a nanocarrier
  28. N-doped graphene quantum dots from graphene oxide and dendrimer and application in photothermal therapy: An experimental and theoretical study
  29. Thermal Rearrangement of Azulenes to Naphthalenes: A Deeper Insight into the Mechanisms
  30. Catalytic Synergism in Mn-Heterostructured Molybdenum Oxysulfide Hybridized with Transition Metal Phosphates: A Robust Amorphous Water Oxidation Catalyst
  31. Retraction: Experimental and theoretical studies of the nanostructured {Fe 3 O 4 @SiO 2 @(CH ...
  32. Synthesis and Application of Nano Vanadium-Oxo Pyridiniumporphyrazinato Sulfonic Acid for Synthesizing Pyrazole and Dihydropyrano[2,3-C]Pyrazole Derivatives
  33. Photo-induced electron transfer of [C60 + Abacavir] nano-complex and feasibility of C60 fullerene application as a chemical shift reagent: a DFT/TD-DFT insights
  34. Recovered fluorescence of the Cd-nanocluster-Hg(II) system based on experimental results and computational methods
  35. When a “Dimroth Rearrangement” Is Not a Dimroth Rearrangement
  36. Theoretical studies on photo-induced electron transfer process on [Thioridazine].C60 nano-complex; a first principle DFT and TD-DFT
  37. Theoretical study on cubane molecule and its reduced states (C8H8n; n = 0 and − 1 to − 4); a first principle DFT study
  38. Mechanism-Based Inactivation of Cytochrome P450 Enzymes: Computational Insights
  39. Feasibility of using two benzo-substituted pyrilium-based compounds in dye-sensitized solar cells
  40. Novel donor–acceptor non-fullerene metal–organic solar cells based on open edge Sc@BN: a DFT and TD-DFT study
  41. Unveiling the mechanistic implications of water oxidation reactions boosted by guanidine proton relays: a chemical-electrochemical-chemical pathway and a non-concerted proton-electron transfer
  42. Correction to “Aptamer-Based Fluorescent Biosensing of Adenosine Triphosphate and Cytochrome c via Aggregation-Induced Emission Enhancement on Novel Label-Free DNA-Capped Silver Nanoclusters/Graphene Oxide Nanohybrids”
  43. Fabrication of Template‐Less Self‐Propelled Micromotors Based on A Metal‐Sandwiched Polytryptophan Body: An Experimental and DFT Study
  44. In Situ Chromophore Doping: A New Mechanism for the Long-Wavelength Emission of Carbon Dots
  45. One‐pot synthesis of 2H‐indazolo[2,1‐b]phthalazine‐triones via nano γ‐Al2O3/BF3/Fe3O4 as an efficient catalyst and theoretical DFT
  46. Impedimetric determination of Cs(I) using AuNPs@PoPD-DB24C8: A targeted molecular-scale perturbation
  47. Structural Assessment of Hydrogen Bonds on Methylpentynol–Azide Clusters To Achieve Regiochemical Outcome of 1,3-Dipolar Cycloaddition Reactions Using Density Functional Theory
  48. Regioselective Ortho‐C H sulfenylation of free phenols catalyzed by Co(II)-immobilized on silica-coated magnetic nanoparticles
  49. Theoretical kinetic and thermodynamic studies of the strain energies and ring size effects of the 1,3-dipolar cycloaddition reactions on ethinamate medicine analogs
  50. Ionically Tagged Magnetic Nanoparticles with Urea Linkers: Application for Preparation of 2-Aryl-quinoline-4-carboxylic Acids via an Anomeric-Based Oxidation Mechanism
  51. Catalytic application of sulfamic acid-functionalized magnetic Fe 3 O 4 nanoparticles (SA-MNPs) for protection of aromatic carbonyl compounds and alco...
  52. Harnessing the enantiomeric recognition ability of hydrophobic polymers of intrinsic microporosity (PIM-1) toward amino acids by converting them into hydrophilic polymer dots
  53. Aptamer-Based Fluorescent Biosensing of Adenosine Triphosphate and Cytochrome c via Aggregation-Induced Emission Enhancement on Novel Label-Free DNA-Capped Silver Nanoclusters/Graphene Oxide Nanohybrids
  54. Proton shuttle efficiency of bicarbonate: A theoretical study on tautomerization and CO2 hydration
  55. A carbon nanotube-iron (III) oxide nanocomposite as a cathode in dye-sensitized solar cells: Computational modeling and electrochemical investigations
  56. Molecular interactions between PAMAM dendrimer and some medicines that suppress the growth of hepatitis virus (Adefovir, Entecavir, Telbivudine, Lamivudine, Tenofovir): a theoretical study
  57. A rhodium-decorated carbon nanotube cathode material in the dye-sensitized solar cell: Conversion efficiency reached to 11%
  58. Efficient ethanol oxidation by hemoglobin-capped gold nanoclusters: The critical role of Fe in the heme group as an oxophilic metal active site
  59. Electrochemical sensing of 2-methyl-4, 6-dinitrophenol by nanomagnetic core shell linked to carbon nanotube modified glassy carbon electrode
  60. Structural distortions of fullerene C60n (n = 0 to −6) by first principle density functional theory
  61. Sub-femtomolar detection of HIV-1 gene using DNA immobilized on composite platform reinforced by a conductive polymer sandwiched between two nanostructured layers: A solid signal-amplification strategy
  62. Bergman cyclization reactions in fused enediynes: a DFT study
  63. Determination of Hg2+ and Cu2+ ions by dual-emissive Ag/Au nanocluster/carbon dots nanohybrids: Switching the selectivity by pH adjustment
  64. Reply to the comment on “A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674–680], ...
  65. One-step electrochemically driven production of aza macrocycle-based pseudo-cryptand: An accessible route for creating of diverse cryptand-resembles compounds
  66. Human serum albumin binding studies of a new platinum(IV) complex containing the drug pregabalin: experimental and computational methods
  67. Transduction of interaction between trace tryptophan and surface-confined chromium salen using impedance spectroscopy. A sensing device that works based on highly selective inhibition of mediator's Faradaic process
  68. Synthesis, characterization, HSA interaction, and antibacterial activity of a new water-soluble Pt(II) complex containing the drug cephalexin
  69. Novel donor-acceptor non-fullerene metal-organic solar cells: A first DFT and TD-DFT study
  70. Resolving the Multiple Emission Centers in Carbon Dots: From Fluorophore Molecular States to Aromatic Domain States and Carbon-Core States
  71. Importance of Azo‐Hydrazo Tautomerization in the Oxidative Degradation of Procarbazine by Cytochrome P450: Computational Insights
  72. A DFT study of both the hydrolytic degradation and protonation of semustine in variation conditions of pH and interaction of drug with DNA nucleobases
  73. Photoinduced electron transfer process on emission spectrum of N,N′-bis(salicylidene)-1,2-phenylenediamine as a Mg2+ cation chemosensor: A first principle DFT and TDDFT study
  74. Tautomeric preferences of the cis and trans isomers of axitinib
  75. Comprehensive facilitating of water oxidation reaction by ultrasonic attenuation of hydrogen-bonded structure of water
  76. A low-overpotential nature-inspired molecular chromium water oxidation catalyst
  77. Separation of anticancer medicines carmustine, lomustine, semustine and melphalan by PAMAM dendrimer: a theoretical study
  78. Adsorption, intercalation and sensing of helium on yttrium functionalized open edge boron nitride: A first principle DFT and TDDFT study
  79. Carbon nanomaterials for electroanalysis in pharmaceutical applications
  80. Electrochemical sensing of trifluralin in water by fluconazole-immobilized Fe3O4/SiO2 nanomagnetic core–shell linked to carbon nanotube modified glassy carbon electrode; an experimental and theoretical modeling
  81. Recognition of switching on or off fluorescence emission spectrum on the Schiff-bases as a Mg2+ chemosensor: A first principle DFT and TD-DFT study
  82. Polarizability Study of Fullerene NanoStructures C20 to C300 by Using Monopole-Dipole Interactions Theorem
  83. Electron Transfer Process between C60 Fullerene and Memberane Cells of Salmonella Typhimurium; a Theoretical Study
  84. Synthesis, structural determination and HSA interaction studies of a new water-soluble Cu(II) complex derived from 1,10-phenanthroline and ranitidine drug
  85. The first principle computational study for the competitive mechanisms of oxidative aromatization of 2-substituted imidazolines using KMnO4/SiO2
  86. A DFT Study of Electronic Structures and Relative Stabilities of Isomericn,m-Diazaphenanthrenes
  87. Synthesis, characterization andin vitroDNA binding studies of a new copper(II) complex containing antioxidant ferulic acid
  88. DFT and TD-DFT theoretical studies on photo-induced electron transfer process on [Cefamandole].C60 nano-complex
  89. Experimental and Computational Evidence on the Interaction of Cycloalkyl α-Aminobisphosphonates with Calf Thymus DNA
  90. A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study
  91. Chemical composition analysis of the essential oil of Mentha piperita L. from Kermanshah, Iran by hydrodistillation and HS/SPME methods
  92. Chemical composition analysis of the essential oil of Solanumn nigrum L. by HS/SPME method and calculation of the biochemical coefficients of the components
  93. Introduction of a carbon paste electrode based on nickel carbide for investigation of interaction between warfarin and vitamin K1
  94. N2 elimination thermolysis reactions of 9-(4- and 5-substituted-1,2,3-triazol-1-yl)acridines to produce 1H-pyrido-[4,3,2-kl] derivatives – A theoretical study
  95. Study of electron transfer process between fullerenes and membrane cells of Escherichia coli in the presence of dinitrophenol and dicyclohexylcarbodiimide
  96. Application of novel nanostructured dinitropyrazine molten salt catalyst for the synthesis of sulfanylpyridines via anomeric based oxidation
  97. Theoretical Study of 1,3-Dipolar Reactions of Myrcene and Trimethylsilylazide
  98. Experimental and theoretical studies of interaction of aliphatic chain α-aminobisphosphonates with DNA
  99. A first-principle DFT study of solvent effects on metiamide tautomers and imaginary interactions with H2-receptors
  100. Theoretical studies of the free energies of electron transfer and electron transfer kinetics in nanostructure supramolecular complexes of cis -unsaturated thiocrown ethers and Ce and Gd endohedral metallofullerenes [ X –UT– Y ][M@C 82 ] (M = Ce, Gd)
  101. Theoretical and Instrumental Studies of the Competitive Interaction Between Aromatic α-Aminobisphosphonates with DNA Using Binding Probes
  102. A DFT study of structures and stabilities of isomeric furo-, thieno-, and selenophenopyridines
  103. Manganese mediated oxidation of progesterone in alkaline medium: Mechanism study and quantitative determination
  104. Reply to the ‘Comments on “Experimental and theoretical studies of the nanostructured {Fe 3 O 4 @SiO 2 ...
  105. Synthesis, characterization andin vitroDNA binding studies of a new copper(II) complex containing an antiviral drug, valganciclovir
  106. Hydrophobic amino acids grafted onto chitosan: a novel amphiphilic chitosan nanocarrier for hydrophobic drugs
  107. The simulation of UV spectroscopy and electronic analysis of temozolomide and dacarbazine chemical decomposition to their metabolites
  108. Synthesis and characterization of glucose-capped CdSe quantum dots. Electrochemical and computational studies of corresponding carbon-ionic liquid electrode for quantitative determination of minoxidil
  109. Theoretical Study of Diffusion Flow of Neurotransmitters Through Single-Wall Armchair(10,10) and Zigzag(18,0) Carbon Nanotubes
  110. Study of solvent effects on structural and conformational properties of cimetidine tautomers
  111. Theoretical Calculation of Thermodynamic and Kinetic Quantities for 1,3 Dipolar Cycloaddition Reactions Between Nitrile Sulfides R–CNS (R = H, CH3, Ph and Ph(CH3)3) with 7–10 Membered Simple Cycloalkynes
  112. Study of complexation between two 1,3-alternate calix[4]crown derivatives and alkali metal ions by electrospray ionization mass spectrometry and density functional theory calculations
  113. Correction: The first computational study for the oxidative aromatization of pyrazolines and 1,4-dihydropyridines using 1,2,4-triazolinediones: an anomeric-based oxidation
  114. Experimental and theoretical studies of the nanostructured {Fe 3 O 4 @SiO 2 @(CH ...
  115. Interrupting the flux of delocalized electrons on a dibenzo-18-crown-6-embedded graphite sheet and its relative counteraction in the presence of potassium ions
  116. Mechanistic study of allopurinol oxidation using aldehyde oxidase, xanthine oxidase and cytochrome P450 enzymes
  117. The first computational study for the oxidative aromatization of pyrazolines and 1,4-dihydropyridines using 1,2,4-triazolinediones: an anomeric-based oxidation
  118. One-pot Solvent-free Catalytic Dimerization Reaction of Phenylacetylene to 1-Phenylnaphthalene
  119. Theoretical study of electron transfer process between fullerenes and neurotransmitters; acetylcholine, dopamine, serotonin and epinephrine in nanostructures [neurotransmitters].C n complexes
  120. First principles studies of electronic and optical properties of helium adsorption on Sc-doped BN monolayer
  121. Racemic R,S-venlafaxine hydrochloride–DNA interaction: Experimental and computational evidence
  122. 1H-NMR study of the stoichiometry and stability of the Ba2+, Sr2+, Hg2+, Pb2+, K+, Ag+, and Tl+ complexes with a new macrocyclic diamide in acetonitrile–nitrobenzene solvent mixture
  123. Structural relationships and theoretical study of the free energies of electron transfer, electrochemical properties, and electron transfer kinetic of cephalosporin antibiotics derivatives with fullerenes in nanostructure of [R]·C n (R = cefadroxil, ce...
  124. Mechanistic study of the hydrolytic degradation and protonation of temozolomide
  125. Comprehensive insights into the structure and coordination behavior of thiosemicarbazone ligands: a computational assessment of the E–Z interconversion mechanism during coordination
  126. Highly selective and sensitive fluorescence optode membrane for uranyl ion based on 5-(9-anthracenylmethyl)-5-aza-2,8-dithia[9],(2,9)-1,10-phenanthrolinophane
  127. A study of the effects of solvent on structural and conformational properties of ranitidine tautomer forms by DFT method
  128. One-pot microwave-assisted solvent-free synthesis, theoretical and experimental studies on barrier rotation of C–N bond of N-alkenyl-1,2,3-triazoles
  129. Development of a novel PVC-membrane fluorescent sensor based on N,N′-bis(dansylamidoethyl)-N,N′-bis(2-pyridylmethyl)propylene-diamine as a new fluoroionophore for highly sensitive and selective monitoring of trace amounts of La3+ ions in aqueous solutions
  130. Formation and HERON Reactivity of Cyclic N,N-Dialkoxyamides
  131. DFT study of HOMO structural map of β-diketones and β-ketoesters; towards prediction of electrochemical oxidation
  132. Synthesis, Characterization, and DNA Binding Studies of a New Pt(II) Complex Containing the Drug Levetiracetam: Combining Experimental and Computational Methods
  133. Spectrophotometric study of formation, structure, stability and kinetics of charge-transfer complexation of iodine with 1,4,7,10,13,16-hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane in chloroform solution. Application of hard-modeling approaches and ...
  134. Free energies, kinetics, and photoelectron-transfer properties, and theoretical and quantitative structural relationship studies of [SWCNT(5,5)-armchair-C n H20][R] (R = η2-C m Pd(dppf), η2-C ...
  135. Conductometric and 1H NMR studies of thermodynamics of complexation of Zn2+, Cd2+ and Pb2+ ions with tetrathia-12-crown-4 in dimethylsulfoxide-nitrobenzene mixtures
  136. Free Energies of Electron Transfer, Electron Transfer Kinetic Theoretical and Quantitative Structural Relationships and Electrochemical Properties Studies of Gadolinium Nitride Cluster Fullerenes Gd3N@Cnin [X-UT-Y][Gd3N...
  137. Theoretical Study and Structural Relationships of Free Energies of Electron Transfer, Electrochemical Properties and Electron Transfer Kinetics of Ferrocene Derivatives with Fullerenes in Nanostructures of [(R)2Cp2-Fe].Cn
  138. Theoretical free energies of electron transfer, electrochemical properties, electron transfer kinetic and quantitative structural relationships studies of alkynyldihydrofullerene in [X-UT-Y][R-C60–M+] supramolecular complexes
  139. Efficient synthesis of 2-hydroxyalkyl alkanedithioates from 1,3-diketones, CS2, and epoxides
  140. Theoretical study of 1,3-dipolar cycloaddition reactions between 7–10-membered simple cycloalkynes and triazoles R–N3 (R = H, CH3, Ph)
  141. Mechanical buckling of nanocomposite rectangular plate reinforced by aligned and straight single-walled carbon nanotubes
  142. Synthesis of alkyl bis(dimethylamino)methylenecarbamodithioates from 1,1,3,3-tetramethylguanidine, CS2 and oxiranes
  143. Theoretical studies on the rotamers and dynamic behaviors of ethyl-5-acetyl-4-(3′,4′-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
  144. Theoretical and Quantitative Structural Relationship Study on Fullerenes Polarizabilities on the basis of Monopole-Dipole Interactions Theorem
  145. Structural Relationship Study of Octanol-Water Partitioning Coefficients and Total Biodegradation of Barbiturate Medicines by Randić Descriptor
  146. Study of Electrochemical Properties, Free Energies of Electron Transfer and Reduction Potentials of Supramolecular [X-UT-Y]@CnComplexes and Fullerenes C60to C300
  147. Effect Investigation of Aqueous Cranberry (Vaccinium arctostaphylos L.) Extract in Accompanied with Antibiotics on Urinary Tract Infections (UTI) Created by Escherichia coli in Vitro
  148. Theoretical and quantitative structural relationships of the electrochemical properties of Cis -unsaturated thiocrown ethers and n-type material bulk-heterojunction polymer solar cells as supramolecular co...
  149. Structural relationships and theoretical study of electron transfer kinetic properties of Vitamins B1 and B2 with fullerenes
  150. Theoretical study of photoelectron transfer process in the nano supramolecular [Vitamins B].Cn complexes
  151. Chemical composition analysis of the essential oil of Melissa officinalis L. from Kurdistan, Iran by HS/SPME method and calculation of the biophysicochemical coefficients of the components
  152. Theoretical and Quantitative Structural Relationships Studies of Free Energies of Electron Transfer, Electron Transfer Kinetic, and Electrochemical Properties of Metal Nitride Cluster Fullerenes Y3N@C80Methano Mono Adduct Derivati...
  153. Theoretical and Quantitative Structural Relationships of the Electron Transfer and Electrochemical Properties ofCis-Unsaturated Thiocrown Ethers and Supramolecular Complexes [X-UT-Y]@[La2@C72(Adamantylidene Mono-Adducts)
  154. Chemical compositions of the essential oil and calculation the biophysicochemical coefficients of the components of Hymenocrater longiflorus Benth. of Iran
  155. Structural Relationships and Theoretical Study of Electron Transfer Properties of 1,3,2-Dithiazolyl Radicals with Fullerenes in Nanostructure [1,3,2-DTA(s)]@C n Supramolecular Complexes
  156. Structural relationship between photophysical data of 1,3,5-trisubstituted oligoaryleneethynylene benzene star-shaped molecules and number of carbon atoms
  157. Chemical composition of the essential oil of Valeriana alliariifolia Adams of Iran
  158. Theoretical and Quantitative Structural Relationships of the Electrochemical Properties of [M@C 82 ]@[SWCNT(5,5)-armchair-C n H 20 ] (M = La, Y and...
  159. Theoretical Study of Structural Relationships and Electrochemical Properties of Supramolecular [14-MR Macrolides]@CnComplexes
  160. 9‐Azidoacridine and 9‐acridinylnitrene
  161. Theoretical and Quantitative Structural Relationship Studies of Electrochemical Properties of the Nanostructures ofCis-Unsaturated Thiocrown Ethers and Their Supramolecular Complexes [X-UT-Y][M@C82] (M˭Ce, Gd)
  162. Microwave-assisted solid phase conversion study of Meldrum's acid to ethylenetetracarboxylic dianhydride (C6O6)
  163. Topological Relationship Between Wiener, Padmaker‐Ivan, and Szeged Indices and Energy and Electric Moments in Armchair Polyhex Nanotubes with the Same Circumference and Varying Lengths
  164. Theoretical and quantitative structural relationships of the electrochemical and electron transfer properties of [M @C82]@[SWCNT(5,5)-armchair-C H20] (x= 0, 1; for x= 1: M = Ce & Gd and n= 20–300) nanostructure complexes
  165. Theoretical Study of Structural Relationships and Electrochemical Properties of Supramolecular [Tetracyclines].CnComplexes
  166. Relationship study of octanol–water partitioning coefficients and total biodegradation of linear simple conjugated polyene and carotene compounds by use of theRandićindex and maximum UV wavelength
  167. Theoretical and Quantitative Structural Relationship Study of the Electrochemical Properties of [M2@Cx]@[SWCNT(5,5)-Armchair-CnH20] (M = Er and Sc, x = 82 and 84, and n = 20−300) C...
  168. Structural Relationship Study of Electrochemical Properties of the Nano Structures ofCis‐unsaturated Thiocrown Ethers and Their Supramolecular Complexes [X‐UT‐Y][La@C72(C6H3Cl2)] Non‐IPR Carbon Cage
  169. Quantitative structural relationship and theoretical study of electrochemical properties of C60@[SWCN(5,5)-Armchair-CnH20] complexes
  170. Design of decoder in quantum computing based on spin field effect
  171. One‐pot microwave‐assisted solvent free synthesis of simple alkyl 1,2,3‐triazole‐4‐carboxylates by using trimethylsilyl azide
  172. Structural Relationship Between Degree of Unsaturation with Fermi Energy, Chemical Hardness, and The HOMO‐LUMO Gap of (5,5) Armchair Single‐Walled Carbon Nanotubes
  173. One-pot Microwave-Assisted Synthesis of 1H-Phenanthro[9,10- d][1,2,3]triazole
  174. Quantitative Relationship Study of Mechanical Structure Properties of Empty Fullerenes
  175. Quantitative Structural Relationship Study of Electrochemical Properties on the Nano Structures ofCis‐Unsaturated Thiocrown Ethers and Their Supramolecular Complexes [X‐UT‐Y] [Sc2@C84] and [X‐UT‐Y] [Er2@C82<...
  176. Chemical composition of the essential oil of Thalectrum minus L. of Iran
  177. Computational note on ab initio studies of 1,3-dipolar cycloaddition reactions between 7–10 membered simple cycloalkynes and nitriloxide
  178. Quantitative Structural Relationship Study ofCis‐Unsaturated Thiocrown Ethers and Their Supramolecular [X‐UT‐Y][C60] and [X‐UT‐Y][La@C82] Complexes
  179. Structural Relationship Between Degree of Unsaturation with Polarizability of (5,5) Armchair Single‐Wall Carbon Nanotubes
  180. Carboxyketenes from 4-Hydroxy-1,3-oxazin-6-ones and Meldrum's Acid Derivatives
  181. Chemical composition of the essential oil ofPelargonium quercetorumAgnew. of Iran
  182. The structural relationship between Randić indices, adjacency matrixes, distance matrixes and maximum wave length of linear simple conjugated polyene compounds
  183. AM1 study of conformational properties of cyclohexaketene and expanded cyclohexaketenes
  184. AM1 study of the equilibrium geometries and racemization mechanisms in open-chain carbodiimides. Conformational and configurational energy surface of 1,3,4,6-tetraazacyclonona-1,2,4,5-tetraene
  185. Conformational properties of simple monocyclic conjugated enediynes
  186. Conformational Properties of Cyclododeca-1,5,9-triyne†