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.
Liudmyla K. SviatenkoOlexandr IsayevLeonid GorbFrances C. HillDanuta LeszczynskaJerzy LeszczynskiPublished in: J. Comput. Chem. (2015)