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namefits_comparison.pdf

Assigned param in fit0-FF

QM-MM relative energies

Structure

TIG1a

TIG1a

TIG3

TIG6

TIG1b

t104

TIG1a

TIG3

TIG1a

TIG4

TIG1a

TIG1b

TIG1b

TIG4

TIG3

TIG4

TIG3

TIG7

TIG3

TIG1a

t58