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

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

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 36(2015), 14 vom: 30. Mai, Seite 1029-35
1. Verfasser: Sviatenko, Liudmyla K (VerfasserIn)
Weitere Verfasser: Isayev, Olexandr, Gorb, Leonid, Hill, Frances C, Leszczynska, Danuta, Leszczynski, Jerzy
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2015
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. adsorption nitrocompounds oxidation reduction silica Environmental Pollutants Nitrogen Compounds mehr... Water 059QF0KO0R Silicon Dioxide 7631-86-9
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