Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/QSAR/atomic_polarizabilities.data @ 8:dbb480e39d95 draft
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author | marcel |
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date | Sat, 15 Dec 2012 13:15:46 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.6/data/QSAR/atomic_polarizabilities.data Sat Dec 15 13:15:46 2012 -0500 @@ -0,0 +1,101 @@ +# 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 +