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

CADDSuite version 1.5

15:ac342506cd4e

# atomic electron affinities, taken from CRC Handbook of Chemistry and Physics, 79th edition, 1998; non-excistant values like unstable ions have 0.0
0.754593
0.0
0.6180
0.0
0.277
1.2629
0.0
1.4611103
3.401190
0.0
0.547926
0.0
0.441
1.385
0.7465
2.077104
3.61269
0.0
0.50147
0.02455
0.188
0.079
0.525
0.666
0.0
0.151
0.662
1.156
1.235
0.0
0.3
1.233
0.81
2.020670
3.363590
0.0
0.48592
0.048
0.307
0.426
0.893
0.748
0.55
1.05
1.137
0.562
1.302
0.0
0.3
1.112
1.046
1.9708
3.059038
0.0
0.471626
0.15
0.5
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.0
0.322
0.815
0.15
1.1
1.5638
2.128
2.30863
0.0
0.2
0.364
0.946
1.9
2.8
0.0
0.46