1973
With the use of large QM / MM active site chemical models , the smallest average differences in geometries between the catalytically relevant quartet and sextet complexes were obtained with the B3LYP ( * ) functional .
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Please list all entity words in the text that fit the category.Output format is "type1: word1; type2: word2". 
Option: Chemical 
Text: {0} 
Answer:
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