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AM1

Modeling rare earth complexes: Sparkle/AM1 parameters for thulium (III)

Freire RO, Rocha GB, Simas AM

CHEMICAL PHYSICS LETTERS, 2005, 411 (1-3), pp 61-65

 

Example:

Tetraqua-(tetraethylene glycol)-thulium, CCDC: KITHAW

MOPAC2009 input and output files: Tm_(KITHAW).mop  Tm_(KITHAW).arc

KITHAW thuliumKITHAW thulium

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