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-Reference-Cited by-同舟云学术

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

Published:2015-03-03 Issue:14 Volume:36 Page:1029-1035
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Sviatenko Liudmyla K.¹²,Isayev Olexandr³,Gorb Leonid⁴,Hill Frances C.⁵,Leszczynska Danuta⁶,Leszczynski Jerzy¹

Affiliation:

1. Department of Chemistry and Biochemistry; Interdisciplinary Nanotoxicity Center, Jackson State University; Jackson Mississippi 39217

2. Department of Organic Chemistry; Oles Honchar Dnipropetrovsk National University; Dnipropetrovsk 49010 Ukraine

3. Division of Chemical Biology and Medicinal Chemistry; UNC Eshelman School of Pharmacy, University of North Carolina at Chapel Hill; North Carolina 27599-7363

4. Badger Technical Services, Inc; 4815 Bradford Dr, NW Huntsville Alabama 35805

5. US Army ERDC; Environmental Laboratory; Vicksburg Mississippi 39180

6. Department of Civil and Environmental Engineering; Interdisciplinary Nanotoxicity Center, Jackson State University; Jackson Mississippi 39217

Funder

ERDC

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.23878/fullpdf

Reference52 articles.