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Corrosion inhibitors - Part II: Quantum chemical studies on the corrosion inhibitions of steel in acidic medium by some triazole, oxadiazole and thiadiazole derivatives El Ashry ESH, El Nemr A, Esawy SA, Ragab S Electrochimica Acta, 51(19), 3957, 2006 |
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Theoretical study of the structural effects of polymethylene amines on corrosion inhibition of iron in acid solutions Khaled KF, Babic-Samardzija K, Hackerman N Electrochimica Acta, 50(12), 2515, 2005 |
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Molecular modeling of interactions of alkyl hydroxamates with calcium minerals Pradip, Rai B, Rao TK, Krishnamurthy S, Vetrivel R, Mielczarski J, Cases JM Journal of Colloid and Interface Science, 256(1), 106, 2002 |
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Structures, vibrational frequencies and polarizabilities of diazaborinines, triazadiborinines, azaboroles, and oxazaboroles Doerksen RJ, Thakkar AJ Journal of Physical Chemistry A, 103(13), 2141, 1999 |
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The structure of hexabenzobiphenylene and the problem of overcrowded "D-3h" polycyclic aromatic compounds Barnett L, Ho DM, Baldridge KK, Pascal RA Journal of the American Chemical Society, 121(4), 727, 1999 |
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Quantum-chemical calculations of the charge distribution in ionic surfactants Huibers PDT Langmuir, 15(22), 7546, 1999 |
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Study of the propagation center in the anionic polymerization of (meth)acrylic monomers: NMR study of di-tert-butyl 2-lithio-2,4,4 '-trimethylglutarate and living poly(tert-butyl methacrylate) oligomers in THF/toluene mixtures Zune C, Dubois P, Grandjean J, Kriz J, Dybal J, Lochmann L, Janata M, Vlcek P, Jerome R Macromolecules, 32(17), 5477, 1999 |
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Calculation of macroscopic first-, second-, and third-order optical susceptibilities for the urea crystal Reis H, Papadopoulos MG, Munn RW Journal of Chemical Physics, 109(16), 6828, 1998 |
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Azaborinines : Structures, vibrational frequencies, and polarizabilities Doerksen RJ, Thakkar AJ Journal of Physical Chemistry A, 102(24), 4679, 1998 |
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Comparative ab initio treatment (Hartree-Fock, density functional theory, MP2, and quadratic configuration interactions) of the cycloaddition of phosphorus ylides with formaldehyde in the gas phase Restrepo-Cossio AA, Gonzalez CA, Mari F Journal of Physical Chemistry A, 102(35), 6993, 1998 |