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A complete scheme of tautomerism on diacetyl monoxime in the gas and solution phases. A comparative DFT study between B3LYP and M06-2X functionals
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A rare dihydroxo copper(II) complex with ciprofloxacin a combined experimental and ONIOM computational study of the interaction of the complex with DNA and BSA
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Theoretical investigation of the borazine melamine polymer as a novel candidate for hydrogen storage applications
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Intramolecular H-transfer in CH2OO and cis-HO3
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Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(II) complex
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The excited-states intermolecular potential energy surfaces of the Ar CS2 van der Waals complex Ab initio study
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theoretical study on the small carbon nano-ladders
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DFT study on the isomerization and tautomerism in vitamins B3 (niacin) B5 (pantothenic acid) and B7 (biotin)
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Core photoionization of the argon dimer in the photon-energy range of 255 340 eV studied by a photoelectron-photoion-photoion coincidence technique
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Reply to comments on Valence ionization of l-proline amino acid Experimental and theoretical study
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Ir and UV spectroscopic analysis of C20 carbon nanostructures
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Theoretical study on the isomerization and tautomerism in barbituric acid
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Theoretical study on structure conformation stability and electronic transition of C4 and C5 anions of ascorbic acid stereoisomers
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Theoretical study on the mechanism and kinetics of atmospheric reactions NH2OH OOH and NH2CH3 OOH
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Prediction of acidity constants of some important selenium oxoacids in aqueous solution by computational techniques
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New Zn(II) complexes with N2S2 Schiff base ligands. Experimental and theoretical studies of the role of Zn(II) in disulfide thiolate-exchange
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Ag/Pd core-shell nanoparticles by a successive method pulsed laser ablation of Ag in water and reduction reaction of PdCl2
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theoretical study on keto-enol tautomerism and isomerization in pyruvic acid
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