AM1 Sparkle modeling of Er(III) and Ce(III) coordination compounds
Ricardo O. Freire, Elizete V. do Monte, Gerd B. Rocha, and Alfredo M. Simas
Journal of Organometallic Chemistry, 2006, 691 (11), pp 2584–2588
Supplementary information available.
Example:
(12-Crown-4-O,O',O'',O''')-penta-aqua-erbium, CCDC: GINRIE
MOPAC2009 input and output files: Er_(GINRIE).mop Er_(GINRIE).arc
