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investigation of the in situ generation of oxide-free copper nanoparticles using pulsed-laser ablation of bulk copper in aqueous solutions of DNA bases
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A comparative MP2 study between water- and acid-assisted proton transfer allophanic acid as a case of study
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An experimental and quantum chemical study on the non-covalent interactions of a cyclometallated Rh (iii) complex with DNA and BSA
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Enantiomeric discrimination of leucine enantiomers by nanotubular cyclic peptides DFT and ONIOM calculation of the absorption spectra of guested enantiomers
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Sodium affinity of caffeine and adenine The effect of microsolvation and electrostatic field of solvent on the sodium affinity
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Effect of Laser Shock Peening on surface properties and residual stress of Al6061-T6
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Kinetics mechanism and thermodynamics of reactions of hydrazine with CH3 and OOH radicals
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The effect of deformation and intermolecular interaction on the absorption spectrum of 5-aminotetrazole and hydrazine A computational molecular spectroscopy study on hydrazinium 5-aminotetrazolate
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Synthesis and characterization of the P C-palladacycles with bridging and chelating dinitrogen ligands and ONIOM calculations on the pyrazine-bridged organometallic calculations on the pyrazine-bridged organometallic
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A Simple Method for Estimating the Absolute Solvation Free Energy of Monovalent Ions in Different Solvents
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Selective Complexation of S-block Cations with Nanotubular Silk Type Cyclopeptides A DFT Study
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A DFT-D study on the interaction between lactic acid and single-wall carbon nanotubes
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Adsorption of small gas molecules on B36 nanocluster
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Simple and water-assisted tautomerism in succinimide
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Theoretical study on the mechanism and kinetics of atmospheric reactions C n H2n 2 NH2 (n 1 3)
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Kinetics mechanism and thermodynamics of reactions of CH3NHNH2 with OOH
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Ab initio study of the Ar CS2 (V1B2) intermolecular potential surface effect of van der Waals interaction on the emission of CS2 molecule
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Corona discharge ionization of paracetamol molecule Peak assignment
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