Mercurial > repos > marcel > caddsuite_linux_x86_64
view CADDSuite/data/QSAR/atomic_polarizabilities.data @ 0:bac3c274238f
Migrated tool version 0.93 from old tool shed archive to new tool shed repository
author | marcel |
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date | Tue, 07 Jun 2011 16:43:30 -0400 |
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# atomic ground state polarizabilities, taken from CRC Handbook of Chemistry and Physics, 79th edition, 1998 0.666793 0.204956 24.3 5.6 3.03 1.76 1.1 0.802 0.557 0.3956 24.08 10.6 6.8 5.38 3.63 2.9 2.18 1.6411 43.4 22.8 17.8 14.6 12.4 11.6 9.4 8.4 7.5 6.8 6.1 7.1 8.12 6.07 4.31 3.77 3.05 2.4844 47.3 27.6 22.7 17.9 15.7 12.8 11.4 9.6 8.6 4.8 7.2 7.2 10.2 7.7 6.6 5.5 5.35 4.044 59.6 39.7 31.1 29.6 28.2 31.4 30.1 28.8 27.7 23.5 25.5 24.5 23.6 22.7 21.8 21.0 21.9 16.2 13.1 11.1 9.7 8.5 7.6 6.5 5.8 5.7 7.6 6.8 7.4 6.8 6.0 5.3 48.7 38.3 32.1 32.1 25.4 24.9 24.8 24.5 23.3 23.0 22.7 20.5 19.7