comparison CADDSuite-1.5/data/QSAR/QSAR/atomic_polarizabilities.data @ 15:ac342506cd4e draft

CADDSuite version 1.5

15:ac342506cd4e

# 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