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

Document Details

Document Type
Pub Defense Publication
Publication Date
Mar 03, 2015
Source ID
10.1002/jcc.23878

Entities

People

  • Danuta Leszczynska
  • Frances C. Hill
  • Jerzy Leszczynski
  • Leonid Gorb
  • Liudmyla K Sviatenko
  • Olexandr Isayev

Organizations

  • Engineer Research and Development Center
  • Jackson State University
  • Oles Honchar Dnipro National University
  • University of North Carolina at Chapel Hill