File tree Expand file tree Collapse file tree 1 file changed +33
-10
lines changed
input/solvation/libraries Expand file tree Collapse file tree 1 file changed +33
-10
lines changed Original file line number Diff line number Diff line change 28142814 shortDesc = u"""""" ,
28152815 longDesc =
28162816u"""
2817-
2817+ Dummy values set to solve issue #285 on RMGPY
28182818""" ,
28192819)
28202820
28332833 shortDesc = u"""""" ,
28342834 longDesc =
28352835u"""
2836-
2836+ Dummy values set to solve issue #285 on RMGPY
28372837""" ,
28382838)
28392839
28522852 shortDesc = u"""""" ,
28532853 longDesc =
28542854u"""
2855-
2855+ Dummy values set to solve issue #285 on RMGPY
28562856""" ,
28572857)
28582858
2859+ #chatelak: New data found in litterature
28592860entry (
28602861 index = 151 ,
28612862 label = "N2" ,
2862- molecule = " N#N" ,
2863+ molecule = ' N#N' ,
28632864 solute = SoluteData (
28642865 S = 0.0 ,
2865- B = 0.0 ,
2866- E = 0.0 ,
2867- L = 0.0 ,
2868- A = 0.0 ,
2869- V = 0.0 ,
2866+ B = 0.00 ,
2867+ E = 0.00 ,
2868+ L = - 0.978 ,
2869+ A = 0.00 ,
2870+ V = 0.2222
28702871 ),
28712872 shortDesc = u"""""" ,
28722873 longDesc =
28732874u"""
2874-
2875+ Michael H. Abraham,a Andreas M. Zissimos, a and William E. Acree, Jr.
2876+ Phys. Chem. Chem. Phys., 2001,3, 3732-3736
2877+ DOI: 10.1039/B104682A
28752878""" ,
28762879)
28772880
2881+ entry (
2882+ index = 152 ,
2883+ label = "O2" ,
2884+ molecule = '[O][O]' ,
2885+ solute = SoluteData (
2886+ S = 0.0 ,
2887+ B = 0.00 ,
2888+ E = 0.00 ,
2889+ L = - 0.723 ,
2890+ A = 0.00 ,
2891+ V = 0.1830
2892+ ),
2893+ shortDesc = u"""""" ,
2894+ longDesc =
2895+ u"""
2896+ Michael H. Abraham,a Andreas M. Zissimos, a and William E. Acree, Jr.
2897+ Phys. Chem. Chem. Phys., 2001,3, 3732-3736
2898+ DOI: 10.1039/B104682A
2899+ """ ,
2900+ )
You can’t perform that action at this time.
0 commit comments