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. 2016 Dec 1;21(12):1650. doi: 10.3390/molecules21121650

Table 4.

Descriptors JI, JA, JGap, Jχ, Jη, Jω, JD1, Jω+, Jω, JΔω± and JD2 for the trans-resveratrol molecule calculated from the results of Table 2.

Descriptor M11 M11L MN12L MN12SX N12 N12SX SOGGA11 SOGGA11X
JI 2.048 0.247 0.232 0.018 0.297 0.002 0.301 0.743
JA 2.080 0.240 0.197 0.019 0.310 0.036 0.314 0.791
JGap 2.919 0.344 0.304 0.026 0.430 0.036 0.435 1.085
Jχ 0.016 0.003 0.017 0.018 0.006 0.019 0.009 0.024
Jη 4.128 0.487 0.429 0.000 0.608 0.034 0.615 1.534
Jω 0.924 0.347 0.214 0.019 0.392 0.036 0.483 0.534
JD1 4.231 0.598 0.480 0.026 0.723 0.053 0.782 1.625
Jω 1.598 0.662 0.393 0.047 0.749 0.079 0.932 0.984
Jω+ 1.582 0.666 0.411 0.028 0.742 0.060 0.925 0.960
JΔω± 3.180 1.328 0.804 0.075 1.491 0.139 1.857 1.945
JD2 2.874 1.366 0.822 0.077 1.635 0.136 1.980 1.894