Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study.

Sviatenko LK, Isayev O, Gorb L, Hill FC, Leszczynska D, Leszczynski J. Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study. J Comput Chem. 2015 May 30; 36(14):1029-35.

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subject areas

Adsorption
Computer Simulation
Environmental Pollutants
Models, Chemical
Models, Molecular
Molecular Structure
Nitrogen Compounds
Oxidation-Reduction
Silicon Dioxide
Water

authors with profiles

Jerzy Leszczynski

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