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The structure of carbon dioxide adsorbed on a sodium chloride (001) surface

Saberi, Mohammad-Ali
Spectrum: Concordia University Research Repository · Papers
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Two sets of parameters and potential energy surfaces for a single CO$\sb2$ molecule adsorbed on the (001) face of a uniform semi-infinite crystal of NaCl were developed and tested using the Steepest Descent method. When the CO$\sb2$ molecule attains the absolute minimum of the potential energy it wa
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