Ab Initio molecular dynamics of the dissolution of
15/03/2020· The other stages (Fig. 5C, D and E) show the S Fe nearest neighbor analysis in a rough sinusoidal curve showing the C. Zhao, M.H. Lee, T.H. LinDFT+U study on the electronic structures and optical properties of pyrite and marcasite. Comput. Mater. Sci., 150 (2018), pp. 346352, / Article Download PDF View Record in Scopus Google Scholar.