1,3,4-Oxadiazole | 1,2,5-Oxadiazole | 1,2,4-oxadiazole | 1,2,3-oxadiazole |
|
−0.305 | −0.313 | −0.311 | −0.300 | EHOMO |
−0.039 | −0.058 | −0.060 | −0.064 | ELUMO |
0.132 | 0.127 | 0.125 | 0.118 | η |
−0.172 | −0.186 | −0.185 | −0.182 | µ |
7.531 | 7.854 | 7.947 | 8.482 | S |
0.112 | 0.136 | 0.137 | 0.141 | ω |