Sparkle model for AM1 calculation of neodymium(III) coordination compounds
Bastos CC, Freire RO, Rocha GB, Simas AM
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2006, 177 (2-3), pp 225-237
Example:
(4-Amino-2,6-bis(2-pyridyl)-1,3,5-triazine-N,N',N'')-triaqua-bis(nitrato-O,O')-neodymium(iii), CCDC: DUCMAP
MOPAC2009 input and output files: Nd_(DUCMAP).mop Nd_(DUCMAP).arc
