Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite/data/QSAR/atomic_ionization_potentials.data @ 3:bb26168c5715
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author | marcel |
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date | Tue, 12 Jul 2011 10:53:07 -0400 |
parents | 8ce0411aaeb3 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite/data/QSAR/atomic_ionization_potentials.data Tue Jul 12 10:53:07 2011 -0400 @@ -0,0 +1,73 @@ +# atomic ionization potentials (neutral atom and +1 ion), CRC Handbook of Chemistry and Physics, 79th edition, 1998 +13.59844 20.02 +24.58741 54.41778 +5.39172 75.64018 +9.3227 18.21116 +8.29803 25.15484 +11.26030 24.38332 +14.53414 29.6013 +13.61806 35.11730 +17.42282 34.97082 +21.5646 40.96328 +5.13908 47.2864 +7.64624 15.03528 +5.98577 18.82856 +8.15169 16.34585 +10.48669 19.7694 +10.36001 23.3379 +12.96764 23.814 +15.75962 27.62967 +4.34066 31.63 +6.11316 11.87172 +6.5615 12.79967 +6.8281 13.5755 +6.7463 14.66 +6.7665 16.4857 +7.43402 15.63999 +7.9024 16.1878 +7.8810 17.083 +7.6398 18.16884 +7.72638 20.29240 +9.3942 17.96440 +5.99930 20.5142 +7.8994 15.93462 +9.7886 18.633 +9.75238 21.19 +11.81381 21.8 +13.99961 24.35985 +4.17713 27.285 +5.6949 11.03013 +6.2171 12.24 +6.63390 13.13 +6.75885 14.32 +7.09243 16.16 +7.28 15.26 +7.36050 16.76 +7.45890 18.08 +8.3369 19.43 +7.5763 21.49 +8.9938 16.90832 +5.78636 18.8698 +7.3439 14.63225 +8.6084 16.53051 +9.0096 18.6 +10.45126 19.1313 +12.1298 21.20979 +3.89390 23.15745 +5.21170 10.00390 +5.770 11.060 +5.5387 10.85 +5.464 10.55 +5.5250 10.73 +5.58 10.9 +5.6436 11.07 +5.6704 11.241 +6.1501 12.09 +5.8638 11.52 +5.9389 11.67 +6.0215 11.80 +6.1077 11.93 +6.18431 12.05 +6.25416 12.1761 +5.4259 13.9 +6.82507 14.9