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A facile method for sample preparation of ore for quantitative analysis by laser desorption ionization-time of flight mass spectrometry using an internal standard
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A comparative theoretical study of the chiral discrimination of phenylalanine enantiomers by the cyclic peptides with different sizes as discriminating agents: A DFT study
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Dinuclear Nickel(II) and Copper(II) Complexes of 8-Quinoline-1 -H-pyrazole-3-carboxamide: Crystal Structure, Magnetic Properties, and DFT Calculations
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10.1002/ejic.202100142 |
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Theoretical study of the vapochromic properties of a mononuclear Pd (II) complex with piroxicam ligands for the detection of the vapor of several solvents
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Interaction of M@Au12 nanocluster (M = Au, Ag, Pd, and Pt) with different forms of cysteine (uncharged, cationic, anionic, and zwitterion) via the Au-S bond
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Mechanistic insight into the hydrogenation of acetylene on the Pd2/g-C3N4 catalyst: effect of Pd clustering on the barrier energy and selectivity
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Sodium salts effect on the time of flight mass spectra of some amino acids in the direct-laser desorption ionization and matrix-assisted laser desorption/ionization
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Electrocatalytic property, anticancer activity, and density functional theory calculation of [NiCl(P^N^P)]Cl.EtOH
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10.1002/aoc.6092 |
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Water-vapochromic behavior of a mononuclear Pd(II) complex of piroxicam: A DFT and TD-DFT study
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Theoretical investigation of The water splitting photocatalytic properties of the pristine, Nb/V doped, and Nb-V co-doped (111) TaOn nanosheet
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Pd/Cu?Free Cobalt?Catalyzed Suzuki and Heck Using Green Bio?Magnetic Hybrid and DFT?Based Theoretical Study
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A TD-DFT study of the excited dissociative electronic states of the DNA nucleobases bound to Li+
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Tautomerism in carbohydrate-derived Salicylidene Schiff bases: Solution, solid-state, and theoretical investigations
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10.1016/j.molstruc.2020.129853 |
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Electron affinities of X12O12 (Be, Mg, andCa), X12N12 (B, Al, and Ga), and X12P12 (B, Al, and Ga) nanocages NBO calculations and energy decomposition analysis
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Effect of sacrificial agents on the photoelectrochemical properties of titanium dioxide co-doped with tungsten and manganese as new visible light active
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بررسي اثر پوشش دهي نانو استيل استونات منگنز بر روي مكانيسم تجزيه حرارتي آمونيوم پركلرات
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Selective Photocatalytic Oxidation of Benzyl Alcohol at Ambient Conditions using Spray-Dried g-C3N4/TiO2 Granules
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10.1016/j.mcat.2020.110927 |
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SBA-15-Supported Imidazolium Ionic Liquid through Different Linkers as a Sustainable Catalyst for the Synthesis of Cyclic Carbonates: A Kinetic Study and Theoretical DFT Calculations
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Mechanism of lithiation of amino acids in aqueous solutions: A laser desorption/ionization-time-of- flight mass spectrometry and theoretical study
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The Role of Delocalization Energy on Superhalogen Property The Electron Affinity of MnXn-, MnXn 2 n- and MnXn3n- ( X O, S, and Se
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