diff CADDSuite-1.6/data/QSAR/atomic_polarizabilities.data @ 18:026f5a483650 draft default tip

Deleted selected files
author marcel
date Sun, 30 Nov 2014 03:47:45 -0500
parents 25a03362403c
children
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--- a/CADDSuite-1.6/data/QSAR/atomic_polarizabilities.data	Sat Dec 15 13:10:41 2012 -0500
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
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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
-