This paper describes the analysis of methods and basis sets for theoretical calculations on oxorhenium(V) complexes. A variety of ligand systems with different coordinating atoms (N, O, P, S, Cl, and Se) were incorporated into this study. Two types of geometries viz....
Well established computational procedure
Summary:
This paper describes the analysis of methods and basis sets for theoretical calculations on oxorhenium(V) complexes. A variety of ligand systems with different coordinating atoms (N, O, P, S, Cl, and Se) were incorporated into this study. Two types of geometries viz....