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Theoretical studies of urea adsorption on single wall boron-nitridenanotubes
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Approach for Predicting the Standard Free Energy Solvation of H and Acidity Constant in Nonaqueous Organic Solvents
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UV-VIS NMR AND FT-IR SPECTRA OF TAUTOMERS OF VITAMIN C. Experimental and DFT Calculations
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G4MP2 DFT and CBS-Q calculation of proton and electron affinities gas phase basicities and ionization energies of hydroxylamines and alkanolamines
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DFT and MP2 Study of Intermolecular Interaction of 5aminotetrazole and Hydrazine Enthalpy of Formation of Hydrazinium 5 Aminotetrazolate in the Gas Phase
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Experimental and theoretical study of the kinetic of proton transfer reaction by ion mobility spectrometry
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Effect of Hydration on the Kinetics of Proton-Bound Dimer Formation Experimental and Theoretical Study
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Symmetry adapted cluster configuration interaction calculation of the photoelectron spectra of famous biological active steroids
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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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Theoretical investigation of the borazine melamine polymer as a novel candidate for hydrogen storage applications
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Ionization energies and photoelectron spectra of fat-soluble vitamins in the gas phase a theoretical study
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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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Computational and experimental study on the electrocatalytic reduction of CO2 to CO by a new mononuclear ruthenium(II) complex
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Intramolecular H-transfer in CH2OO and cis-HO3
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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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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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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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