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AM1

Sparkle model for the AM1 calculation of dysprosium (III) complexes

da Costa NB, Freire RO, Rocha GB, Simas AM

INORGANIC CHEMISTRY COMMUNICATIONS, 2005, 8 (9), pp 831-835

 

Example:

tetrakis(4-(1H)-Pyridone)-bis(nitrato-O,O')-dysprosium, CCDC: YAVSOD

MOPAC2009 input and output files: Dy_(YAVSOD).mop  Dy_(YAVSOD).arc

dysprosium yavsoddysprosium yavsod

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