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QUANTUM - CHEMICAL ENERGY EVALUATION OF SILICA SURFACE PROTONATION ON NANO MODELS
Journal: Science and world (Vol.1, No. 12)Publication Date: 2014-08-15
Authors : Vorontsov B.S.; Sharov A.V.;
Page : 30-33
Keywords : surface of silica; protolytic properties; quantum chemistry; molecular models; protonation energy.;
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Abstract
The conducted model experiment is based on quantum-chemical calculations and it predicts the existence of nanoscale zones with different acid-base properties on the surface of silica. This aspect may be one of the reasons for significant distribution of experimental data about protolytic properties, published in various works
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Last modified: 2015-09-11 21:30:51