AM1

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, 691 (2006), pp 2584–2588

Supplementary information available.

Example:

(12-Crown-4-O,O',O'',O''')-penta-aqua-cerium , CCDC: GINNUM

MOPAC2009 input and output files: Ce_(GINNUM).mop Ce_(GINNUM).arc