Results for the 2017 edition of the Annual DFT Popularity Poll: 3. Chiroptical properties
functional | love (++) | like (+) | neutral (0) | dislike (-) | hate (--) | #votes | points | average | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | B97M-V | 1 | 1.6 % | 0 | 0.0 % | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 3.1 % | 3 | 0.05 |
2 | wB97M-V | 1 | 1.6 % | 0 | 0.0 % | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 3.1 % | 3 | 0.05 |
3 | wB97X-V | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 3 | 0.05 |
4 | PBE-D | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 3 | 0.05 |
5 | SAOP | 1 | 1.6 % | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 3 | 4.7 % | 1 | 0.02 |
6 | PBE0 | 1 | 1.6 % | 0 | 0.0 % | 1 | 1.6 % | 0 | 0.0 % | 1 | 1.6 % | 3 | 4.7 % | 0 | 0.00 |
7 | B3LYP-D | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | 0 | 0.00 |
8 | DSD-PBEP86 | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | 0 | 0.00 |
9 | M06-2X | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | 0 | 0.00 |
10 | PWPB95-D3 | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | 0 | 0.00 |
11 | S12g | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | 0 | 0.00 |
12 | wB97X-D | 1 | 1.6 % | 2 | 3.1 % | 4 | 6.2 % | 0 | 0.0 % | 2 | 3.1 % | 9 | 14.1 % | -1 | -0.02 |
13 | S12h | 0 | 0.0 % | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | -2 | -0.03 |
14 | SSB-D | 0 | 0.0 % | 1 | 1.6 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | -2 | -0.03 |
15 | BP86 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | -3 | -0.05 |
16 | CAM-B3LYP | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | -3 | -0.05 |
17 | B3PW91 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
18 | B97-D | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
19 | BHandH | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
20 | DSD-BLYP | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
21 | HSE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
22 | LB94 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
23 | LC-wPBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
24 | LC-PBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
25 | M06 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
26 | M06-L | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
27 | MVS | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
28 | OLYP | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
29 | optB88-vdW | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
30 | PW6B95 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
31 | PW91 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
32 | revPBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
33 | revTPSS | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
34 | revTPSS-D | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
35 | RPA | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
36 | RPBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
37 | SCAN | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
38 | TPSSh | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
39 | PBE-QIDH | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | -3 | -0.05 |
40 | B3LYP | 1 | 1.6 % | 0 | 0.0 % | 3 | 4.7 % | 1 | 1.6 % | 2 | 3.1 % | 7 | 10.9 % | -4 | -0.06 |
41 | PBE | 0 | 0.0 % | 1 | 1.6 % | 2 | 3.1 % | 0 | 0.0 % | 2 | 3.1 % | 5 | 7.8 % | -5 | -0.08 |
42 | BLYP | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 3.1 % | 2 | 3.1 % | -6 | -0.09 |
43 | LDA | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 3.1 % | 2 | 3.1 % | -6 | -0.09 |
44 | MN12L | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 3.1 % | 2 | 3.1 % | -6 | -0.09 |
45 | MN15 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 3.1 % | 2 | 3.1 % | -6 | -0.09 |
46 | B2PLYP | 0 | 0.0 % | 1 | 1.6 % | 1 | 1.6 % | 0 | 0.0 % | 3 | 4.7 % | 5 | 7.8 % | -8 | -0.12 |
total number of participants: 64 |