Results for the 2015 edition of the Annual DFT Popularity Poll: 1. Reaction barriers
functional | love (++) | like (+) | neutral (0) | dislike (-) | hate (--) | #votes | points | average | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | B2PLYP | 5 | 6.6 % | 2 | 2.6 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 9 | 11.8 % | 14 | 0.18 |
2 | M06-2X | 3 | 3.9 % | 4 | 5.3 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 9 | 11.8 % | 9 | 0.12 |
3 | PBE0 | 3 | 3.9 % | 3 | 3.9 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 7 | 9.2 % | 9 | 0.12 |
4 | PBE | 4 | 5.3 % | 2 | 2.6 % | 2 | 2.6 % | 0 | 0.0 % | 2 | 2.6 % | 10 | 13.2 % | 8 | 0.11 |
5 | wB97X-D | 2 | 2.6 % | 5 | 6.6 % | 1 | 1.3 % | 1 | 1.3 % | 1 | 1.3 % | 10 | 13.2 % | 7 | 0.09 |
6 | M06 | 3 | 3.9 % | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 2 | 2.6 % | 7 | 9.2 % | 4 | 0.05 |
7 | DSD-PBEP86 | 2 | 2.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 3 | 3.9 % | 3 | 0.04 |
8 | PW6B95 | 2 | 2.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 3 | 3.9 % | 3 | 0.04 |
9 | PWPB95-D3 | 2 | 2.6 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 3 | 3.9 % | 3 | 0.04 |
10 | B97-D | 1 | 1.3 % | 4 | 5.3 % | 1 | 1.3 % | 2 | 2.6 % | 1 | 1.3 % | 9 | 11.8 % | 2 | 0.03 |
11 | DSD-BLYP | 1 | 1.3 % | 2 | 2.6 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 4 | 5.3 % | 2 | 0.03 |
12 | BP86 | 2 | 2.6 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | 1 | 1.3 % | 7 | 9.2 % | 1 | 0.01 |
13 | CAM-B3LYP | 1 | 1.3 % | 2 | 2.6 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 5 | 6.6 % | 1 | 0.01 |
14 | SSB-D | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 3 | 3.9 % | 1 | 0.01 |
15 | TPSSh | 1 | 1.3 % | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 4 | 5.3 % | 1 | 0.01 |
16 | S12h | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | 0 | 0.00 |
17 | LDA | 1 | 1.3 % | 1 | 1.3 % | 2 | 2.6 % | 2 | 2.6 % | 1 | 1.3 % | 7 | 9.2 % | -1 | -0.01 |
18 | PW91 | 0 | 0.0 % | 2 | 2.6 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 4 | 5.3 % | -1 | -0.01 |
19 | B3PW91 | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | 0 | 0.0 % | 1 | 1.3 % | 4 | 5.3 % | -2 | -0.03 |
20 | HSE | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
21 | RPBE | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
22 | S12g | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
23 | revPBE | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
24 | revTPSS | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 3 | 3.9 % | -2 | -0.03 |
25 | revTPSS-D | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
26 | APBE | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 0 | 0.0 % | 1 | 1.3 % | 3 | 3.9 % | -3 | -0.04 |
27 | LC-PBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
28 | LC-wPBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
29 | M05-2X | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
30 | OLYP | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 3 | 3.9 % | -3 | -0.04 |
31 | RPA | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
32 | SAOP | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
33 | mPW1K | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
34 | tau-HCTH | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
35 | B3LYP-D | 0 | 0.0 % | 2 | 2.6 % | 1 | 1.3 % | 0 | 0.0 % | 2 | 2.6 % | 5 | 6.6 % | -4 | -0.05 |
36 | optB88-vdW | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 1 | 1.3 % | 3 | 3.9 % | -4 | -0.05 |
37 | M06-L | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 3 | 3.9 % | -5 | -0.07 |
38 | B3LYPstar | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 3 | 3.9 % | 5 | 6.6 % | -6 | -0.08 |
39 | BHandH | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | -6 | -0.08 |
40 | BLYP | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | 4 | 5.3 % | -6 | -0.08 |
41 | LB94 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | -6 | -0.08 |
42 | M05 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | -6 | -0.08 |
43 | MN12L | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | -6 | -0.08 |
44 | B3LYP | 0 | 0.0 % | 7 | 9.2 % | 3 | 3.9 % | 5 | 6.6 % | 3 | 3.9 % | 18 | 23.7 % | -7 | -0.09 |
total number of participants: 76 |