Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite-1.5/data/QSAR/atomic_ionization_potentials.data @ 15:ac342506cd4e draft
CADDSuite version 1.5
| author | Marcel Schumann <schumann.marcel@gmail.com> |
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| date | Tue, 24 Jul 2012 11:08:49 -0400 |
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| children |
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| 14:55c32b55c2c2 | 15:ac342506cd4e |
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| 1 # atomic ionization potentials (neutral atom and +1 ion), CRC Handbook of Chemistry and Physics, 79th edition, 1998 | |
| 2 13.59844 20.02 | |
| 3 24.58741 54.41778 | |
| 4 5.39172 75.64018 | |
| 5 9.3227 18.21116 | |
| 6 8.29803 25.15484 | |
| 7 11.26030 24.38332 | |
| 8 14.53414 29.6013 | |
| 9 13.61806 35.11730 | |
| 10 17.42282 34.97082 | |
| 11 21.5646 40.96328 | |
| 12 5.13908 47.2864 | |
| 13 7.64624 15.03528 | |
| 14 5.98577 18.82856 | |
| 15 8.15169 16.34585 | |
| 16 10.48669 19.7694 | |
| 17 10.36001 23.3379 | |
| 18 12.96764 23.814 | |
| 19 15.75962 27.62967 | |
| 20 4.34066 31.63 | |
| 21 6.11316 11.87172 | |
| 22 6.5615 12.79967 | |
| 23 6.8281 13.5755 | |
| 24 6.7463 14.66 | |
| 25 6.7665 16.4857 | |
| 26 7.43402 15.63999 | |
| 27 7.9024 16.1878 | |
| 28 7.8810 17.083 | |
| 29 7.6398 18.16884 | |
| 30 7.72638 20.29240 | |
| 31 9.3942 17.96440 | |
| 32 5.99930 20.5142 | |
| 33 7.8994 15.93462 | |
| 34 9.7886 18.633 | |
| 35 9.75238 21.19 | |
| 36 11.81381 21.8 | |
| 37 13.99961 24.35985 | |
| 38 4.17713 27.285 | |
| 39 5.6949 11.03013 | |
| 40 6.2171 12.24 | |
| 41 6.63390 13.13 | |
| 42 6.75885 14.32 | |
| 43 7.09243 16.16 | |
| 44 7.28 15.26 | |
| 45 7.36050 16.76 | |
| 46 7.45890 18.08 | |
| 47 8.3369 19.43 | |
| 48 7.5763 21.49 | |
| 49 8.9938 16.90832 | |
| 50 5.78636 18.8698 | |
| 51 7.3439 14.63225 | |
| 52 8.6084 16.53051 | |
| 53 9.0096 18.6 | |
| 54 10.45126 19.1313 | |
| 55 12.1298 21.20979 | |
| 56 3.89390 23.15745 | |
| 57 5.21170 10.00390 | |
| 58 5.770 11.060 | |
| 59 5.5387 10.85 | |
| 60 5.464 10.55 | |
| 61 5.5250 10.73 | |
| 62 5.58 10.9 | |
| 63 5.6436 11.07 | |
| 64 5.6704 11.241 | |
| 65 6.1501 12.09 | |
| 66 5.8638 11.52 | |
| 67 5.9389 11.67 | |
| 68 6.0215 11.80 | |
| 69 6.1077 11.93 | |
| 70 6.18431 12.05 | |
| 71 6.25416 12.1761 | |
| 72 5.4259 13.9 | |
| 73 6.82507 14.9 |