comparison CADDSuite-1.6/data/QSAR/atomic_electron_affinities.data @ 8:dbb480e39d95 draft

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8:dbb480e39d95

# 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