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Copper-catalyzed simultaneous dehydrogenation and enantioselective allylic oxidation of alkanes using chiral heterogeneous ligands to produce allylic esters and theoretical investigation of the mechanism

Jan 19, 2026 12:11:46 PM

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Assessing the accuracy and efficacy of multiscale computational methods in predicting reaction mechanisms and kinetics of SN2 reactions and Claisen rearrangement

Jan 19, 2026 12:11:46 PM

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Discovery of new Glyoxalase I inhibitors by repurposing of FDA-approved drugs: An in silico study

Jan 19, 2026 12:11:46 PM

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QM/MM study of the catalytic reaction of aphid myrosinase

Jan 19, 2026 12:11:46 PM

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Integrated fragment-based drug design and virtual screening techniques for exploring the antidiabetic potential of thiazolidine-2,4-diones: Design, synthesis and in vivo studies

Jan 19, 2026 12:11:46 PM

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Two local minima for structures of [4Fe–4S] clusters obtained with density functional theory methods

Jan 19, 2026 12:11:46 PM

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In Silico Optimization of Frizzled-8 Receptor Inhibition Activity of Carbamazepine: Designing New Anti-Cancer Agent

Jan 19, 2026 12:11:46 PM

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Catalytic Reaction Mechanism of Glyoxalase II: A Quantum Mechanics/Molecular Mechanics Study

Jan 19, 2026 12:11:46 PM

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Computational design of fusion proteins against ErbB2-amplified tumors inspired by ricin toxin

Jan 19, 2026 12:11:46 PM

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Identifying SARS-CoV-2 main protease inhibitors by applying the computer screening of a large database of molecules

Jan 19, 2026 12:11:46 PM

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Theoretical Study of the kinetic-isotope effect on the catalytic reaction of the Escherichia coli Glyoxalase I

Jan 19, 2026 12:11:46 PM

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Benchmark Study of Redox Potential Calculations for Iron–Sulfur Clusters in Proteins

Jan 19, 2026 12:11:47 PM

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Robust and predictive QSAR models for predicting the D2, 5-HT1A, and 5-HT2A inhibition activities of fused tricyclic heterocycle piperazine (piperidine) derivatives as atypical antipsychotic drugs

Jan 19, 2026 12:11:47 PM

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Ethanol adsorption in cation-exchanged linde type L zeolite, studied by molecular simulations

Jan 19, 2026 12:11:47 PM

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Study of interaction of metal ions with methylthymol blue by chemometrics and quantum chemical calculations

Jan 19, 2026 12:11:47 PM

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QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues

Jan 19, 2026 12:11:47 PM

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Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics Study

Jan 19, 2026 12:11:47 PM

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Theoretical Study of Chemoselectivity of Acetylene Hydrates

Jan 19, 2026 12:11:47 PM

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Can a quantum mechanical cluster model explain the special stereospecificity of glyoxalase I?

Jan 19, 2026 12:11:47 PM

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Quantum Mechanics/Molecular Mechanics Study of the Reaction Mechanism of Glyoxalase I

Jan 19, 2026 12:11:47 PM

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Photocatalytic degradation and adsorption of Rhodamin B dye on CdSe and CdS nanoparticles

Jan 19, 2026 12:11:47 PM

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QM/MM study of the stereospecific proton exchange of glutathiohydroxyacetone by glyoxalase I

Jan 19, 2026 12:11:47 PM

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Selective aerobic photocatalytic oxidation of benzyl alcohol over spherical structured WO3/TiO2 nanocomposite under visible light irradiation

Jan 19, 2026 12:11:47 PM

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Higher Flexibility of Glu-172 Explains the Unusual Stereospecificity of Glyoxalase I

Jan 19, 2026 12:11:47 PM

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Photocatalytic degradation of Methylene Blue with ZnO nanoparticles; a joint experimental and theoretical study

Jan 19, 2026 12:11:47 PM

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Catalytic mechanism of human glyoxalase I studied by quantum mechanical cluster calculations

Jan 19, 2026 12:11:47 PM

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Enantioselectivity of lipase B from Candida antarctica in the transesterification reaction of (R; S)-1-phenylethanol and S-ethyl thio-octanoate; a density functional study

Jan 19, 2026 12:11:47 PM

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Amino Acid Oxidation of Candida antarctica Lipase B Studied by Molecular Dynamics Simulations and Site-Directed Mutagenesis

Jan 19, 2026 12:11:47 PM

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A density functional theory study of cyclization of citronellal

Jan 19, 2026 12:11:47 PM

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Theoretical study of protic solvents hydrogen bonding effect, on the reaction of cyclopentadiene and vinyl acetate; apart from the bulk properties

Jan 19, 2026 12:11:47 PM

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A joint experimental and theoretical study of kinetic and mechanism of rearrangement of allyl p-tolyl ether

Jan 19, 2026 12:11:47 PM

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Theoretical study of solvent and substituent effects on the reactions of 1,4-benzoquinone with Cyclopentadiene and Cyclohexadiene derivatives

Jan 19, 2026 12:11:48 PM

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Theoretical study of kinetics and mechanism of reactions of Hydroxylamine and Amineoxide anion with Methyl Iodide in gas and aqueous phases

Jan 19, 2026 12:11:48 PM

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Theoretical and experimental investigation of adsorption and photo degradation of a few organic compounds on a few colloidal nano-particles

Jan 19, 2026 12:11:48 PM

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شبیه سازی دینامیک مولکولی آنزیم لیپاز B با آمینو اسیدهای اکسید شده

Jan 19, 2026 12:11:48 PM

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اثر نمک: ترمودینامیک و کاربردها

Jan 19, 2026 12:11:48 PM

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8th International Conference on Chemical Studies of Materials Engineering and Nanotechnology in the Islamic World

Jan 19, 2026 12:11:48 PM

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The 24th Iranian Physical Chemistry Conference (Iranian Chemical Society)

Jan 19, 2026 12:11:48 PM

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The 24th Iranian Physical Chemistry Conference (Iranian Chemical Society)

Jan 19, 2026 12:11:48 PM

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The 24th Iranian Physical Chemistry Conference (Iranian Chemical Society)

Jan 19, 2026 12:11:48 PM

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The 24th Iranian Physical Chemistry Conference (Iranian Chemical Society)

Jan 19, 2026 12:11:48 PM

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The 24th Iranian Physical Chemistry Conference (Iranian Chemical Society)

Jan 19, 2026 12:11:48 PM

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6th National Conferance on Novel Achievements in Materials Engineering, Chemical Engineering and Industrial Safety

Jan 19, 2026 12:11:48 PM

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6th National Conferance on Novel Achievements in Materials Engineering, Chemical Engineering and Industrial Safety

Jan 19, 2026 12:11:48 PM

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22nd Iranian Inorganic Chemistry Conference

Jan 19, 2026 12:11:48 PM

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22nd Iranian Inorganic Chemistry Conference

Jan 19, 2026 12:11:49 PM

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22nd Iranian Inorganic Chemistry Conference

Jan 19, 2026 12:11:49 PM

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21st ICS International Chemistry Congress

Jan 19, 2026 12:11:49 PM

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21st ICS International Chemistry Congress

Jan 19, 2026 12:11:49 PM

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21st ICS International Chemistry Congress

Jan 19, 2026 12:11:49 PM

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21st ICS International Chemistry Congress

Jan 19, 2026 12:11:49 PM

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22nd Iranian Physical Chemistry Conference

Jan 19, 2026 12:11:49 PM

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22nd Iranian Physical Chemistry Conference

Jan 19, 2026 12:11:49 PM

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21st Iranian Physical Chemistry Conference

Jan 19, 2026 12:11:49 PM

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21st Iranian Physical Chemistry Conference

Jan 19, 2026 12:11:49 PM

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20th Iranian Physical Chemistry Conference

Jan 19, 2026 12:11:49 PM

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19th Iranian Physical Chemistry Conference

Jan 19, 2026 12:11:49 PM

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19th Iranian Physical Chemistry Conference

Jan 19, 2026 12:11:49 PM

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Second International Conference in New Ressearch on cheemistry & chemicall engineering

Jan 19, 2026 12:11:49 PM

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18th Iranian Chemistry Congress (18ICC)

Jan 19, 2026 12:11:49 PM

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Showing 1,861 to 1,920 of 6,310 entries.

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