Electrostatic Potential and Adsorption Characteristics of the Trimethyl‐Silylated Surface of Silica |
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| Authors: | Mironyuk I F Lobanov V V Ogenko V M |
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| Institution: | (1) Institute of Surface Chemistry, National Academy of Sciences of Ukraine, 31 Prospekt Nauki, Kiev, 03022, Ukraine |
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| Abstract: | The distribution of electrostatic potential in the vicinity of the hydroxylated and trimethylsilylated surface of silica was calculated in the semiempirical PM3 approximation. A new mechanism is proposed for the bonding of electron-donating molecules with the surface of hydrophobized silicas. |
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