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J Chin Soc Corr Pro  1995, Vol. 15 Issue (3): 229-236    DOI:
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SOME ASPECTS OF QUANTUM CHEMICAL STUDY ON ORGANIC INHIBITORS
Tang Zilong;Song Shizhe(Tianjin University)
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Abstract  The results of research on quantum chemical study for corrosion inhibitors were reviewed.The following aspects were mainly discussed:relations between the inhibition efficiency and quantum parameters(such as HOMO energys LUMO energy,electron density et al),inhibition mechanism and electron distribution of the inhibitors.The protonation effect on the results of quantum chemistry calculation was also analysed.Finally,the quantum chemistry methods used for investigation of corrosion inhibition were outlined.
Key words:  Inhibitor;Quantum chemical study;Inhibitive mechanism     
Received:  25 June 1995     
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Tang Zilong;Song Shizhe(Tianjin University). SOME ASPECTS OF QUANTUM CHEMICAL STUDY ON ORGANIC INHIBITORS. J Chin Soc Corr Pro, 1995, 15(3): 229-236.

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https://www.jcscp.org/EN/     OR     https://www.jcscp.org/EN/Y1995/V15/I3/229

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