Background Information on Ilvaite Si2O7] groups (Herzenberg & Riley, 1969; Yamanaka & Takéuchi, 1979; Xuemin et al., 1988). At room temperature ilvaite has a monoclinic crystal structure 64.19 Kb. 1
Chapter 1 Introduction 1 General Introduction Part of the problem is that the simulation of reactions involving transition metals and extended ligand systems is still problematic with established methods 4.36 Mb. 37
Computational Chemistry Data Dictionary energy Pes – a mathematical function that gives the energy of a molecular complex as a function of the coordinates of all atomic nuclei 4.58 Kb. 1