comparison CADDSuite/data/QSAR/atomic_polarizabilities.data @ 0:bac3c274238f

Migrated tool version 0.93 from old tool shed archive to new tool shed repository

0:bac3c274238f

# atomic ground state polarizabilities, taken from CRC Handbook of Chemistry and Physics, 79th edition, 1998
0.666793
0.204956 
24.3
5.6
3.03 
1.76 
1.1 
0.802 
0.557 
0.3956
24.08 
10.6 
6.8
5.38
3.63
2.9 
2.18
1.6411
43.4
22.8
17.8
14.6
12.4
11.6
9.4
8.4
7.5
6.8
6.1
7.1
8.12
6.07
4.31
3.77
3.05
2.4844
47.3
27.6
22.7
17.9
15.7
12.8
11.4
9.6
8.6
4.8
7.2
7.2 
10.2
7.7
6.6
5.5
5.35
4.044
59.6
39.7
31.1
29.6
28.2
31.4
30.1
28.8
27.7
23.5
25.5
24.5
23.6
22.7
21.8
21.0
21.9
16.2
13.1
11.1
9.7
8.5
7.6
6.5
5.8
5.7
7.6
6.8
7.4
6.8
6.0
5.3
48.7
38.3
32.1
32.1
25.4
24.9
24.8
24.5
23.3
23.0
22.7
20.5
19.7