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                             116 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Analysis of supramolecular self-assembly of two chromene derivatives: Synthesis, crystal structure, Hirshfeld surface, quantum computational and molecular docking studies Mahesha,

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2 A new corrosion inhibitor for steel rebar in concrete: Synthesis, electrochemical and theoretical studies Bellal, Youcef

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3 A new mixed-ligand lanthanum(III) complex with salicylic acid and 1,10-phenanthroline: Synthesis, characterization, antibacterial activity, and underlying mechanism Gao, Sijia

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4 A new Pd(II)-Hydrazide-Triphenylphosphine complex: Synthesis, crystal structure, spectroscopic characterization and theoretical calculations Dikmen, Gökhan

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5 A new praseodymium-based coordination polymers with 1,10-phenantroline and glutarate ligands: Synthesis, crystal structure and luminescent properties Maouche, Roza

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6 An inorganic-organic hydrogen cluster: Fluorescence response of the high efficient detection of Fe3+, OH− and nitro explosives Zhao, Yue

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7 A novel fluorescent sensor for fast and highly selective turn-off detection of Fe3+ in water and pharmaceutical samples using synthesized azopyrazole-benzenesulfonamide derivative Sayed, A.

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8 Azo ligand as new corrosion inhibitor for copper metal: Spectral, thermal studies and electrical conductivity of its novel transition metal complexes Mandour, Howida S.

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9 Biocatalytic hydrolysis of diethyl 1-butyryloxy-1-carboxymethylphosphonate and determination of the absolute configuration of obtained products Majewska, Paulina

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10 Biosynthesis, characterization and photocatalytic activity of ZnO nanoparticles using extracts of Justicia spicigera for the degradation of methylene blue Soto-Robles, C.A.

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11 Cobalt complexes of the non-steroidal anti-inflammatory drug indomethacin: Synthesis and structural studies Nnabuike, Ginikachukwu G.

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12 Cobalt(III) complex of substituted nalidixic acid: Synthesis, characterization (IR, UV, EPR), single crystal X-ray, antimicrobial activity, Hirshfeld surface analysis and molecular docking Aycan, Tuğba

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13 Conformational analysis and electronic interactions of some 2- [2′-(4′-sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2- [2′-(phenylselanyl)-acetyl]-5-methylfuran Valença, J.

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14 Conformer selective monohydrated clusters of 1,2,3,4 –tetrahydroisoquinoline in S0: I-Potential energy surface studies, vibrational signatures and NBO analysis Das, Santu

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15 Coordination behavior of succinylsulfathiazole – Crystal structure of [Cu(SST).(Pyridine)3.H2O]n, DNA interaction and cytotoxic studies Chaudhary, Kaushik P.

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16 Costus speciosus koen leaf extract assisted cs-znx (X = O or S) nanomaterials: Synthesis, characterization and photocatalytic degradation of rr 120 dye under uv and direct sunlight Ravikumar, S.

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17 Crystal and electronic structure of poly-halogenated lanthanide Schiff base complex: Insights into halogen bond from structural and theoretical analysis Wu, Qiong

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18 Crystallographic and theoretical interpretation of supramolecular architecture in a new salt hydrate of DL-Tartaric acid and Dimethylamine (DLTA-DA) Likhitha, U.

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19 Crystal structure and thermodynamic properties of the coordination compound calcium D-gluconate Ca[D-C6H11O7]2(s) Di, You-Ying

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20 Crystal structure determination, hirshfeld surface analysis and quantum computational studies of (3E,5E)-1-ethyl-3,5-bis (naphthalen-1-yl-methylidene) piperidin-4-one: A novel RORc inhibitor V, Rajni Swamy

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21 Derivation of an accurate geometry of 2-fluoroaniline from rotational spectroscopy and computational chemistry Poonia, Tamanna

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22 Design, click conventional and microwave syntheses, DNA binding, docking and anticancer studies of benzotriazole-1,2,3-triazole molecular hybrids with different pharmacophores Alraqa, Shaya Yahya

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23 Design, stereoselective synthesis, computational studies and cholinesterase inhibitory activity of novel spiropyrrolidinoquinoxaline tethered indole hybrid heterocycle Arumugam, Natarajan

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24 Design, synthesis and biological evaluation of oxime lacking Psammaplin inspired chemical libraries as anti-cancer agents Kumar M, Srinivas Lavanya

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25 Design, synthesis, biological assessment and molecular docking studies of some new 2-Thioxo-2,3-dihydropyrimidin-4(1H)-ones as potential anticancer and antibacterial agents El-Etrawy, Abd-Allah Sh

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26 Design, synthesis, DNA binding, modeling, anticancer studies and DFT calculations of Schiff bases tethering benzothiazole-1,2,3-triazole conjugates Almehmadi, Meshal A.

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27 Detailed structural study of cyclic anticancer drug Lorlatinib: spectroscopic and stereostructure investigation (IR, ECD and NMR) using density functional theory approach Jiang, Shitian

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28 Development of novel conductive copolymer based on furan with improved solubility and thermal properties Kherroub, Djamal Eddine

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29 Editorial Board
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30 Effects of lateral methyl and terminal substituents on thermal, mesomorphic and optical properties of azo-ester mesogens Sardon, Siti Nur Fadhilah

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31 Evaluation of Amaryllidaceae alkaloids as inhibitors of human acetylcholinesterase by QSAR analysis and molecular docking López, Andrés Felipe Flor

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32 Evaluation of structural, spectral, thermal and optical properties of an efficient centrosymmetric organic single crystal 2-[2-(4-diethylamino-phenyl)-vinyl]-1-methyl pyridinium tetrafluoroborate for nonlinear optical applications Nivetha, K.

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33 Experimental and theoretical corroboration of antimicrobial and anticancer activities of two pseudohalides induced structurally diverse Cd (II)-Salen complexes Majumdar, Dhrubajyoti

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34 Experimental and theoretical investigations of acid sensing properties of pyrazino[2,3-g]quinoxaline derivatives Vishwakarma, Vinod Kumar

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35 Experimental investigation of structural, surface, optical and electrical properties of gallium sesquioxide doped tausonite compounds Saravanan, G.

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36 Fabrication of metal incorporated polymer composite: An excellent antibacterial agent Talukdar, Md Ikbal Ahmed

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37 Four-component, one–pot synthesis of (E)-N-benzylidene-3-(benzylthio)-5-(3,5-dimethyl-1H-pyrazol-1-yl)-4H-1,2,4-triazol-4-amines and their DNA binding and molecular docking studies Jilloju, Parameshwara Chary

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38 Four new coordination complexes prepared for the degradation of methyl violent dye based on flexible dicarboxylate and different N-donor coligands Lu, Lu

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39 FT-IR and FT-Raman investigation, quantum chemical analysis and molecular docking studies of 5-(4-Propan-2-yl)benzylidene)-2-[3-(4-chlorophenyl)-5[4-(propan-2-yl)phenyl-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4(5H)-one Venil, K.

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40 Growth, structural, spectral, optical and thermal studies of a novel third-order nonlinear optical single crystal: Piperazine-1,4-diium bis(2, 4-dichlorobenzoate) Revathi Ambika, V.

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41 Hydroxyapatite (HA)-based hybrid bionanocomposite hydrogels: Ciprofloxacin delivery, release kinetics and antibacterial activity Alinavaz, Samira

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42 Hydroxyphenylamine phosphonate derivatives: Synthesis, X-ray crystallographic analysis, and evaluation of theirs anti-Alzheimer effects and antioxidant activities Zaout, Samiya

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43 Identify of promising isoquinolone JNK1 inhibitors by combined application of 3D-QSAR, molecular docking and molecular dynamics simulation approaches Wang, Jiaolong

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44 In situ synthesis of ZnO nanoparticles in poly(vinyl alcohol) membranes and its use in separation of acetone/water mixtures via pervaporation Şahin, Merve Olukman

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45 Investigating differences and similarities between two new abiraterone polymorphs and its hydrochloride salt monohydrate Trzcińska, K.

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46 Investigation of effective factors on antibacterial activity of Pillared-Layered MOFs Soltani, Sajjad

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47 Investigation of structural, morphological, optical and electrical properties of Co/Ni co-doped ZnO thin films Guermat, Noubeil

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48 Investigation on water soluble copper(II) mono-anionic glutamate complexes with planar aromatic ligands: synthesis, crystal structures, biomacromolecular interactions and radical scavenging activities İnci, Duygu

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49 Isolation, characterization, in vitro anticancer activity, dft calculations, molecular docking, bioactivity score, drug-likeness and admet studies of eight phytoconstituents from brown alga sargassum platycarpum Abdelrheem, Doaa A.

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50 Killing effects of Candida albicans through alteration of cellular morphology and growth metabolism using Tris-NHC ligand coordinated to AgI and CuI Dileepan, A.G. Bharathi

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51 Ligand structure-driven self-assembly of Zn(NCS)2 with a carbohydrazone ligand: A possible intermediate towards a [2 × 2] metallic grid Mahmoudi, Ghodrat

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52 Linear and nonlinear optical properties of innovative synthesis of nickel nanoparticles in polystyrene matrix as a new optical system Abomostafa, H.M.

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53 Mechanism evaluation of the interactions between eight flavonoids and γ-globulin based on multi-spectroscopy Li, Xiangrong

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54 Microwave irradiated one pot, three component synthesis of a new series of hybrid coumarin based thiazoles: Antibacterial evaluation and molecular docking studies Mamidala, Srikanth

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55 Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors Cardoso, Wesley B.

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56 Molecular encapsulation study of indole-3-methanol in cyclodextrins: Effect on antimicrobial activity and cytotoxicity Bomzan, Pranish

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57 Molecular structure of 1,2-diethyldiaziridine studied by gas electron diffraction supported by quantum chemistry calculations Marochkin, Ilya I.

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58 N-[difluoro(methyl)silyl]carboxamides: Synthesis, structural features and theoretical estimating of Si←O dative bond energy Lazareva, Nataliya F.

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59 New carbazole-based organic dyes with different acceptors for dye-sensitized solar cells: Synthesis, characterization, dssc fabrications and density functional theory studies Abusaif, Moustafa S.

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60 New monomeric mixed-ligand complex of iron(III)-3-chloropyridine: Synthesis, structure, luminescence, electrochemical and magnetic properties Sundaram, Ganeshraja Ayyakannu

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61 Novel bis-nitrile grafted [6]Helicenes through a photochemical pathway: Chiroptical and photophysical properties Raouafi, Sondes

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62 Novel chromenyl-based 2-iminothiazolidin-4-one derivatives as tubulin polymerization inhibitors: Design, synthesis, biological evaluation and molecular modelling studies Sigalapalli, Dilep Kumar

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63 Novel Cu2+ and Zn2+ nanocomplexes drug based on hydrazone ligand bearings chromone and triazine moieties: Structural, spectral, DFT, molecular docking and cytotoxic studies Fouad, R.

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64 Novel series of N-acylhydrazone based on acridone: Synthesis, conformational and theoretical studies Aarjane, Mohammed

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65 One pot three component solvent free synthesis of N-substituted tetrazoles using RuO2 /MMT catalyst Pawar, Hari R.

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66 Pd(II) complexes with ONN pincer ligand: Tailored synthesis, characterization, DFT, and catalytic activity toward the Suzuki-Miyaura reaction Shukla, Satyendra Nath

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67 Pentacoordinated manganese(III) bis-o-iminobenzosemiquinonates: Looking for spin-crossover phenomenon Ershova, Irina V.

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68 Photophysical property and thermal stability of a simple protonated hydrogen bonding complex: 3-Amino-5-nitro-[2,1]benzoisothiazole-p-toluenesulfonate Battula, Himabindu

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69 Preparation and catalytic evaluation of a palladium catalyst deposited over modified clinoptilolite (Pd@MCP) for chemoselective N-formylation and N-acylation of amines Amirsoleimani, Mina

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70 Preparation of antibacterial film-based biopolymer embedded with vanadium oxide nanoparticles using one-pot laser ablation Menazea, A.A.

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71 Pyrene based Schiff bases: Synthesis, crystal structure, antibacterial and BSA binding studies Srinivasan, Venkatesan

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72 Solvothermal synthesis, crystal structure of a new Ca(II) coordination polymer [CaII(4–ABA)(CH3COO)(H2O)(DMF)]n and its catalytic epoxidation of cyclohexene Singh, Atom Rajiv

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73 Spectral and structural insights of copper reduction pathways in the system of CuX 2-R 2S (X=Cl, Br; R=allyl, n-propyl) Olijnyk, V.

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74 Spectroscopic characterization and structural insights of 4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl] phenyl 4-methylbenzene-1-sulfonate using vibrational, electronic spectra and quantum chemical calculations Kumar, Rajesh

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75 Spectroscopic, quantum chemical, hydrogen bonding, reduced density gradient analysis and anti-inflammatory activity study on piper amide alkaloid piperine and wisanine Priscilla, J.

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76 Strategy for the vibrational circular dichroism study of a glycosylflavonoid evaluated as its peracetate. The case of bioactive 7-O-β-D-glucopyranosylchrysin Quevedo-Tinoco, Lirenny

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77 Structural characterization, computational, charge density studies of 2-chloro-3-(2’-methoxy)-5,5-dimethyl-2-cyclohexenone Sreenatha, N.R.

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78 Structural chemistry and anticancer activity of new heteroleptic palladium(II) carbodithioates Nawaz, Hamid

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79 Structural, computational and antimicrobial studies of 2–[(E)–[2–(2,4,6-trimethylbenzenesulfonyl)-hydrazinylidene] methyl] benzoic acid and its Cu(II), Zn(II) and Co(II) complexes Nwokelo, Maxwell O.

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80 Structurally characterized new alkyl- and alkenyl-gallium peroxides having interesting structural motifs Jana, Barun

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81 Structure-property correlation in gallic acid and 4-cyanopyridine cocrystal and binding studies with drug efflux pump in bacteria Goswami, Shyam

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82 Structure, thermal properties and molecular mobility in cholesteryl hydrogen phthalate: Different approaches to the crystal, the glassy crystal and the mesophase Diogo, Hermínio P.

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83 Studies of crystal growth, structural, spectral and optical properties of solution grown 2-phenylethylaminium p-nitrophenolate monohydrate single crystals for efficient nonlinear optical applications Rajasekar, G.

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84 Studies of structural and electrical properties of lead-free ceramic: Bi(Ba0.25Ti0.25Fe0.5)O3 Purohit, Varsa

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85 Syntheses and characterizations of copper(II)-supramolecular coordination compounds with 2,2-dimethylglutarate and diamine derivatives Köse Yaman, Pelin

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86 Synthesis and characterization of anilinium ionic liquids: Exploring effect of π-π ring stacking Baker, Brett

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87 Synthesis and characterization of Poly (ortho-aminophenol-co-para-toluidine) and its application as semiconductor thin film Zoromba, M.Sh.

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88 Synthesis and comprehensive spectroscopic (X-ray, NMR, FTIR, UV–Vis), quantum chemical and molecular docking investigation of 3-acetyl-4‑hydroxy‑2-oxo-2H-chromen-7-yl acetate Milanović, Žiko B.

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89 Synthesis, antibacterial evaluation, crystal structure and molecular interactions analysis of new 6-Bromo-2‑chloro‑3-butylquinazolin-4(3H)-one ouerghi, Oussama

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90 Synthesis, characterization and antibacterial activity of [Zn(formato)2(4,4′-bipy)] complex Ye, Xiaomei

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91 Synthesis, characterization and computational study on potential inhibitory action of novel azo imidazole derivatives against COVID-19 main protease (Mpro: 6LU7) Chhetri, Abhijit

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92 Synthesis, characterization and crystal structure determination of aluminum hydride complexes of N, N′- Di(isopropyl)ethylenediamine ligand Jana, Barun

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93 Synthesis, characterization and cytotoxic activity evaluation of 4-(1,2,3-triazol-1-yl) salicylic acid derivatives Ríos-Malváez, Zita G.

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94 Synthesis, characterization and in silico screening of potential biological activity of 17α-ethynyl-3β, 17β, 19-trihydroxyandrost-5-en acetylated derivatives Ochoa, Ma. Eugenia

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95 Synthesis, characterization, anti-proliferative activity and chemistry computation of DFT theoretical methods of hydrazine-based Schiff bases derived from methyl acetoacetate and α-hydroxyacetophenone Parvarinezhad, Sakineh

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96 Synthesis, characterization, X-ray structure and in vitro antifungal activity of triphenyltin complexes based on pyrazole dicarboxylic acid derivatives Dahmani, Mohammed

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97 Synthesis, Crystal structure and DFT studies of Polyfunctionalized Alkenes: A transition Metal-Free C(sp 2)-H Sulfenylation of electron deficient Alkyne Saroha, Mohit

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98 Synthesis, crystal structure and solid-state properties of 4-(3-nitrophenylamino)-4-methylpentan-2-one picrate (3NAP): An efficient cocrystal for χ (3) optics Shalini, D.

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99 Synthesis, crystal structure, spectroscopic study and Hirshfeld surface analysis of [Ni(C6H8N2)3]Cl2.2(H2O) (1) Jbali, W.

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100 Synthesis, experimental and computational study of a non-centrosymmetric material 3-methylbenzylammonium trioxonitrate Gatfaoui, Sofian

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101 Synthesis, in vitro and in silico studies of naphto-1,3-oxazin-3(2H)-one derivatives as promising inhibitors of cholinesterase and α-glucosidase Boudebbous, Khawla

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102 Synthesis of calix[4]arenes bearing thiosemicarbazone moieties with naphthalene groups: Highly selective turn off/on fluorescent sensor for Cu(II) recognition Quiroga-Campano, Cinthia

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103 Synthesis, physicochemical and vibrational spectral properties of 2–pyridone and 2–aminopyridine derivatives: An experimental and theoretical study Keshk, Reda M.

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104 Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide Karrouchi, Khalid

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105 Synthesis, thermogravimetric, and spectroscopic characterizations of three palladium metal(II) ofloxacin drug and amino acids mixed ligand complexes as advanced antimicrobial materials Naglah, Ahmed M.

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106 Synthesis, X-ray crystallography, vibrational spectroscopy, thermal and DFT studies of (E)-6-(4-methylstyryl)-4,5-dihydropyridazin-3(2H)-one Daoui, Said

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107 Theoretical and matrix isolation studies of infrared spectra of the H2CO∙∙∙HF hydrogen-bonded complex Asfin, R.E.

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108 Theoretical investigation of structure, anticancer activity and molecular docking of thiourea derivatives Kirishnamaline, G.

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109 Thermoluminescence study and evaluation of trapping parameters CaTiO3: RE (RE=Eu3+, Dy3+) phosphor for TLD applications Kadam, A.R.

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110 Thermoluminescence study of sodium aluminosilicate phosphors Ovhal, Digambar A.

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111 The structural and optical properties of ZnO:Sn nanostructured films by MW-CBD Aksay, S.

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112 Trends in two dimensional correlation spectroscopy. Selected contributions presented at the 10th international symposium on two dimensional correlation spectroscopy (2DCOS-10) – Changchun (China) Wu, Yuqing

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113 Two luminescent Ni(II) coordination polymers for sensing of iron(III) ions/benzaldehyde and photocatalytic degradation of methylene blue under UV irradiation Lyu, Kun

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114 Two 2p-3d-4f complexes constructed from functionalized nitronyl nitroxides: Synthesis, structure and magnetic properties Zhang, Yandie

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115 Wound dressing properties of functionalized environmentally biopolymer loaded with selenium nanoparticles Ahmed, M.K.

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116 X-Ray structure, Hirshfeld analysis and DFT studies of two new hits of triazolyl-indole bearing alkylsulfanyl moieties Boraei, Ahmed T.A.

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                             116 gevonden resultaten
 
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