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DFT CBS-Q W1BD and G4MP2 calculation of the proton and electron affinities gas phase basicities and ionization energies of saturated and unsaturated carboxylic acids (C1 C4)
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DFT and MP2 study of low barrier proton transfer in hydrazide schiff base tautomers via water bridges and in the gas
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Photoelectron spectra of some important biological molecules symmetry adapted cluster configuration interaction study
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Theoretical studies on tautomerism of imidazole-2-selenone
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Ab initio intermolecular potential energy surfaces of He-CS2 Ne-CS2 and Ar-CS2 complexes
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Thermodynamic study of proton-bond dimers formation in atmospheric pressure An experimental and theoretical study
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computational and electrochemical studies on the redox reaction of 2-2 3-dihydroxy phenyl) -1 3- dithiane in aqueous solution
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Theoretical and Experimental Study of Valance Photoelectron Spectrum of D L Alanine Amino Acid
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Unusual condensation of ethylene glycol with coordinated 1 10-phenanthroline-5 6-dione in Ru(phen-dione)2Cl2 and its cyclometallated complex Ru(phpy-k2N C2 )(phen-diox)2 (PF6)
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Acidity constants of some sulfur oxoacids in aqueous solution using CCSD and MP2 methods
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protonation of caffeine A theoretical and experimental study
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Bis- and tris(2 3-dihydro-4a 12b-(epoxyethanooxy) 1 4 dioxino 2 3-f 1 10 phenanthroline) complexes of Ru(II) Synthesis structureand DNA binding properties
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Bis- and tris(2 3-dihydro-4a 12b-(epoxyethanooxy) 1 4 dioxino 2 3-f 1 10 phenanthroline) complexes of Ru(II) Synthesis structure and DNA binding properties
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Theoretical study on the structures stabilities and electronic properties of S2 O5 2- isomers in the gas and solution phases
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DFT study on the different oligomers of Glycerol n 1-4 in gas and aqueous phases
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valance ionization of L-proline amino acid Experimental and theoretical study
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Enantiomeric separation of D- and L-lactic acid enantiomers by use of nanotubular cyclicpeptides A DFT study
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Two-dimensional optogalvanic spectroscopy
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Synthesis X-ray structure electrochemistry and theoretical studies of palladium II complex with a tetradentate bis quinoline-2-carboxamide)ligand
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DFT investigation of endohedral boron oxide nanocapsules Encapsulation of He Ne Ar H N and Cl atoms
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