Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/QSAR/atomic_electron_affinities.data @ 10:eda78e0f5df6 draft default tip
Deleted selected files
author | marcel |
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date | Sun, 30 Nov 2014 03:46:08 -0500 |
parents | 488032d372e1 |
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--- a/CADDSuite-1.6/data/QSAR/atomic_electron_affinities.data Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,88 +0,0 @@ -# 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