Virtual Computational Chemistry Laboratory

Software Groups of Indices Contributor


RDF descriptors

Molecular descriptors obtained by radial basis functions centered on different interatomic distances (from 0.5A to 15.5A).


RelNo

Symbol

Name

References

1RDF010uRadial Distribution Function - 1.0 / unweighted

Hemmer, M.C.,
Steinhauer, V.
& Gasteiger,
J. Vibrat. Spect.,  
(1999), 19, 151 -164.

2RDF015uRadial Distribution Function - 1.5 / unweighted
3RDF020uRadial Distribution Function - 2.0 / unweighted
4RDF025uRadial Distribution Function - 2.5 / unweighted
5RDF030uRadial Distribution Function - 3.0 / unweighted
6RDF035uRadial Distribution Function - 3.5 / unweighted
7RDF040uRadial Distribution Function - 4.0 / unweighted
8RDF045uRadial Distribution Function - 4.5 / unweighted
9RDF050uRadial Distribution Function - 5.0 / unweighted
10RDF055uRadial Distribution Function - 5.5 / unweighted
11RDF060uRadial Distribution Function - 6.0 / unweighted
12RDF065uRadial Distribution Function - 6.5 / unweighted
13RDF070uRadial Distribution Function - 7.0 / unweighted
14RDF075uRadial Distribution Function - 7.5 / unweighted
15RDF080uRadial Distribution Function - 8.0 / unweighted
16RDF085uRadial Distribution Function - 8.5 / unweighted
17RDF090uRadial Distribution Function - 9.0 / unweighted
18RDF095uRadial Distribution Function - 9.5 / unweighted
19RDF100uRadial Distribution Function - 10.0 / unweighted
20RDF105uRadial Distribution Function - 10.5 / unweighted
21RDF110uRadial Distribution Function - 11.0 / unweighted
22RDF115uRadial Distribution Function - 11.5 / unweighted
23RDF120uRadial Distribution Function - 12.0 / unweighted
24RDF125uRadial Distribution Function - 12.5 / unweighted
25RDF130uRadial Distribution Function - 13.0 / unweighted
26RDF135uRadial Distribution Function - 13.5 / unweighted
27RDF140uRadial Distribution Function - 14.0 / unweighted
28RDF145uRadial Distribution Function - 14.5 / unweighted
29RDF150uRadial Distribution Function - 15.0 / unweighted
30RDF155uRadial Distribution Function - 15.5 / unweighted
31RDF010mRadial Distribution Function - 1.0 / weighted by atomic masses
32RDF015mRadial Distribution Function - 1.5 / weighted by atomic masses
33RDF020mRadial Distribution Function - 2.0 / weighted by atomic masses
34RDF025mRadial Distribution Function - 2.5 / weighted by atomic masses
35RDF030mRadial Distribution Function - 3.0 / weighted by atomic masses
36RDF035mRadial Distribution Function - 3.5 / weighted by atomic masses
37RDF040mRadial Distribution Function - 4.0 / weighted by atomic masses
38RDF045mRadial Distribution Function - 4.5 / weighted by atomic masses
39RDF050mRadial Distribution Function - 5.0 / weighted by atomic masses
40RDF055mRadial Distribution Function - 5.5 / weighted by atomic masses
41RDF060mRadial Distribution Function - 6.0 / weighted by atomic masses
42RDF065mRadial Distribution Function - 6.5 / weighted by atomic masses
43RDF070mRadial Distribution Function - 7.0 / weighted by atomic masses
44RDF075mRadial Distribution Function - 7.5 / weighted by atomic masses
45RDF080mRadial Distribution Function - 8.0 / weighted by atomic masses
46RDF085mRadial Distribution Function - 8.5 / weighted by atomic masses
47RDF090mRadial Distribution Function - 9.0 / weighted by atomic masses
48RDF095mRadial Distribution Function - 9.5 / weighted by atomic masses
49RDF100mRadial Distribution Function - 10.0 / weighted by atomic masses
50RDF105mRadial Distribution Function - 10.5 / weighted by atomic masses
51RDF110mRadial Distribution Function - 11.0 / weighted by atomic masses
52RDF115mRadial Distribution Function - 11.5 / weighted by atomic masses
53RDF120mRadial Distribution Function - 12.0 / weighted by atomic masses
54RDF125mRadial Distribution Function - 12.5 / weighted by atomic masses
55RDF130mRadial Distribution Function - 13.0 / weighted by atomic masses
56RDF135mRadial Distribution Function - 13.5 / weighted by atomic masses
57RDF140mRadial Distribution Function - 14.0 / weighted by atomic masses
58RDF145mRadial Distribution Function - 14.5 / weighted by atomic masses
59RDF150mRadial Distribution Function - 15.0 / weighted by atomic masses
60RDF155mRadial Distribution Function - 15.5 / weighted by atomic masses
61RDF010vRadial Distribution Function - 1.0 / weighted by atomic van der Waals volumes
62RDF015vRadial Distribution Function - 1.5 / weighted by atomic van der Waals volumes
63RDF020vRadial Distribution Function - 2.0 / weighted by atomic van der Waals volumes
64RDF025vRadial Distribution Function - 2.5 / weighted by atomic van der Waals volumes
65RDF030vRadial Distribution Function - 3.0 / weighted by atomic van der Waals volumes
66RDF035vRadial Distribution Function - 3.5 / weighted by atomic van der Waals volumes
67RDF040vRadial Distribution Function - 4.0 / weighted by atomic van der Waals volumes
68RDF045vRadial Distribution Function - 4.5 / weighted by atomic van der Waals volumes
69RDF050vRadial Distribution Function - 5.0 / weighted by atomic van der Waals volumes
70RDF055vRadial Distribution Function - 5.5 / weighted by atomic van der Waals volumes
71RDF060vRadial Distribution Function - 6.0 / weighted by atomic van der Waals volumes
72RDF065vRadial Distribution Function - 6.5 / weighted by atomic van der Waals volumes
73RDF070vRadial Distribution Function - 7.0 / weighted by atomic van der Waals volumes
74RDF075vRadial Distribution Function - 7.5 / weighted by atomic van der Waals volumes
75RDF080vRadial Distribution Function - 8.0 / weighted by atomic van der Waals volumes
76RDF085vRadial Distribution Function - 8.5 / weighted by atomic van der Waals volumes
77RDF090vRadial Distribution Function - 9.0 / weighted by atomic van der Waals volumes
78RDF095vRadial Distribution Function - 9.5 / weighted by atomic van der Waals volumes
79RDF100vRadial Distribution Function - 10.0 / weighted by atomic van der Waals volumes
80RDF105vRadial Distribution Function - 10.5 / weighted by atomic van der Waals volumes
81RDF110vRadial Distribution Function - 11.0 / weighted by atomic van der Waals volumes
82RDF115vRadial Distribution Function - 11.5 / weighted by atomic van der Waals volumes
83RDF120vRadial Distribution Function - 12.0 / weighted by atomic van der Waals volumes
84RDF125vRadial Distribution Function - 12.5 / weighted by atomic van der Waals volumes
85RDF130vRadial Distribution Function - 13.0 / weighted by atomic van der Waals volumes
86RDF135vRadial Distribution Function - 13.5 / weighted by atomic van der Waals volumes
87RDF140vRadial Distribution Function - 14.0 / weighted by atomic van der Waals volumes
88RDF145vRadial Distribution Function - 14.5 / weighted by atomic van der Waals volumes
89RDF150vRadial Distribution Function - 15.0 / weighted by atomic van der Waals volumes
90RDF155vRadial Distribution Function - 15.5 / weighted by atomic van der Waals volumes
91RDF010eRadial Distribution Function - 1.0 / weighted by atomic Sanderson electronegativities
92RDF015eRadial Distribution Function - 1.5 / weighted by atomic Sanderson electronegativities
93RDF020eRadial Distribution Function - 2.0 / weighted by atomic Sanderson electronegativities
94RDF025eRadial Distribution Function - 2.5 / weighted by atomic Sanderson electronegativities
95RDF030eRadial Distribution Function - 3.0 / weighted by atomic Sanderson electronegativities
96RDF035eRadial Distribution Function - 3.5 / weighted by atomic Sanderson electronegativities
97RDF040eRadial Distribution Function - 4.0 / weighted by atomic Sanderson electronegativities
98RDF045eRadial Distribution Function - 4.5 / weighted by atomic Sanderson electronegativities
99RDF050eRadial Distribution Function - 5.0 / weighted by atomic Sanderson electronegativities
100RDF055eRadial Distribution Function - 5.5 / weighted by atomic Sanderson electronegativities
101RDF060eRadial Distribution Function - 6.0 / weighted by atomic Sanderson electronegativities
102RDF065eRadial Distribution Function - 6.5 / weighted by atomic Sanderson electronegativities
103RDF070eRadial Distribution Function - 7.0 / weighted by atomic Sanderson electronegativities
104RDF075eRadial Distribution Function - 7.5 / weighted by atomic Sanderson electronegativities
105RDF080eRadial Distribution Function - 8.0 / weighted by atomic Sanderson electronegativities
106RDF085eRadial Distribution Function - 8.5 / weighted by atomic Sanderson electronegativities
107RDF090eRadial Distribution Function - 9.0 / weighted by atomic Sanderson electronegativities
108RDF095eRadial Distribution Function - 9.5 / weighted by atomic Sanderson electronegativities
109RDF100eRadial Distribution Function - 10.0 / weighted by atomic Sanderson electronegativities
110RDF105eRadial Distribution Function - 10.5 / weighted by atomic Sanderson electronegativities
111RDF110eRadial Distribution Function - 11.0 / weighted by atomic Sanderson electronegativities
112RDF115eRadial Distribution Function - 11.5 / weighted by atomic Sanderson electronegativities
113RDF120eRadial Distribution Function - 12.0 / weighted by atomic Sanderson electronegativities
114RDF125eRadial Distribution Function - 12.5 / weighted by atomic Sanderson electronegativities
115RDF130eRadial Distribution Function - 13.0 / weighted by atomic Sanderson electronegativities
116RDF135eRadial Distribution Function - 13.5 / weighted by atomic Sanderson electronegativities
117RDF140eRadial Distribution Function - 14.0 / weighted by atomic Sanderson electronegativities
118RDF145eRadial Distribution Function - 14.5 / weighted by atomic Sanderson electronegativities
119RDF150eRadial Distribution Function - 15.0 / weighted by atomic Sanderson electronegativities
120RDF155eRadial Distribution Function - 15.5 / weighted by atomic Sanderson electronegativities
121RDF010pRadial Distribution Function - 1.0 / weighted by atomic polarizabilities
122RDF015pRadial Distribution Function - 1.5 / weighted by atomic polarizabilities
123RDF020pRadial Distribution Function - 2.0 / weighted by atomic polarizabilities
124RDF025pRadial Distribution Function - 2.5 / weighted by atomic polarizabilities
125RDF030pRadial Distribution Function - 3.0 / weighted by atomic polarizabilities
126RDF035pRadial Distribution Function - 3.5 / weighted by atomic polarizabilities
127RDF040pRadial Distribution Function - 4.0 / weighted by atomic polarizabilities
128RDF045pRadial Distribution Function - 4.5 / weighted by atomic polarizabilities
129RDF050pRadial Distribution Function - 5.0 / weighted by atomic polarizabilities
130RDF055pRadial Distribution Function - 5.5 / weighted by atomic polarizabilities
131RDF060pRadial Distribution Function - 6.0 / weighted by atomic polarizabilities
132RDF065pRadial Distribution Function - 6.5 / weighted by atomic polarizabilities
133RDF070pRadial Distribution Function - 7.0 / weighted by atomic polarizabilities
134RDF075pRadial Distribution Function - 7.5 / weighted by atomic polarizabilities
135RDF080pRadial Distribution Function - 8.0 / weighted by atomic polarizabilities
136RDF085pRadial Distribution Function - 8.5 / weighted by atomic polarizabilities
137RDF090pRadial Distribution Function - 9.0 / weighted by atomic polarizabilities
138RDF095pRadial Distribution Function - 9.5 / weighted by atomic polarizabilities
139RDF100pRadial Distribution Function - 10.0 / weighted by atomic polarizabilities
140RDF105pRadial Distribution Function - 10.5 / weighted by atomic polarizabilities
141RDF110pRadial Distribution Function - 11.0 / weighted by atomic polarizabilities
142RDF115pRadial Distribution Function - 11.5 / weighted by atomic polarizabilities
143RDF120pRadial Distribution Function - 12.0 / weighted by atomic polarizabilities
144RDF125pRadial Distribution Function - 12.5 / weighted by atomic polarizabilities
145RDF130pRadial Distribution Function - 13.0 / weighted by atomic polarizabilities
146RDF135pRadial Distribution Function - 13.5 / weighted by atomic polarizabilities
147RDF140pRadial Distribution Function - 14.0 / weighted by atomic polarizabilities
148RDF145pRadial Distribution Function - 14.5 / weighted by atomic polarizabilities
149RDF150pRadial Distribution Function - 15.0 / weighted by atomic polarizabilities
150RDF155pRadial Distribution Function - 15.5 / weighted by atomic polarizabilities
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