Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/QSAR/atomic_polarizabilities.data @ 10:eda78e0f5df6 draft default tip
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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_polarizabilities.data Sat Dec 15 13:16:40 2012 -0500 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,101 +0,0 @@ -# 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 -