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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Mironyuk, I.F., Lobanov, V.V. & Ogenko, V.M. Electrostatic Potential and Adsorption Characteristics of the Trimethyl‐Silylated Surface of Silica. Theoretical and Experimental Chemistry 36, 264–267 (2000). https://doi.org/10.1023/A:1005222511918
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DOI: https://doi.org/10.1023/A:1005222511918