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Keywords: Molecular orbital
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Journal Articles
Journal:
Anti-Corrosion Methods and Materials
Anti-Corrosion Methods and Materials (2016) 63 (3): 231–235.
Published: 03 May 2016
... efficiency and the molecular structure of inhibitors. Design/methodology/approach Several quantum chemical parameters, such as the charge distribution, energy and distribution of highest occupied molecular orbital and lowest unoccupied molecular orbital, the absolute electronegativity (χ) values...
