First principle calculations of the adsorption of molecular H2 in Cu[Fe(CN)5NO] metal nitroprussides. An insight into H2-host interactions

First principle calculations of the adsorption of molecular H2 in Cu[Fe(CN)5NO] metal nitroprussides. An insight into H2-host interactions

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 117, May 2016, Pages 54-64

C. Morera-Boado, J.A. Reyes-Retana, M. Avila, H. Mikosch,