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Table 2 Fukuy index by 3b

From: Synthesis and structural studies of a new class of quaternary ammonium salts, which are derivatives of cage adamanzane type aminal 1, 3, 6, 8-tetraazatricyclo[4.3.1.13,8]undecane (TATU)

Entry B3LYP/6-31G B3LYP/6-311G MPW/6311-G
C-1 0.051 0.056 0.014
C-2 0.053 0.059 0.014
C-3 0.074 0.131 0.005
C-4 0.018 0.284 0.013
C-5 0.077 0.138 0.003
C-8 0.131 0.128 0.006