data.zip
__MACOSX
data
._.DS_Store
120 Bytes
data
.DS_Store
6.1 kB
DeltaF
ener_GIS-NaP1.dat
475 Bytes
ener_chabazite.dat
661 Bytes
ener_faujasite.dat
661 Bytes
ener_ms5.dat
661 Bytes
ener_rescale_GIS-NaP1.dat
101 Bytes
ener_rescale_chabazite.dat
55 Bytes
ener_rescale_faujasite.dat
244 Bytes
ener_rescale_ms5.dat
245 Bytes
clusterSize_vs_nH2O
gr_Al_ox
gr_Al-Ox_GIS-NaP1_1wm.dat
6.7 kB
gr_Al-Ox_GIS-NaP1_2wm.dat
7.1 kB
gr_Al-Ox_GIS-NaP1_3wm.dat
7.4 kB
gr_Al-Ox_GIS-NaP1_4wm.dat
7.8 kB
gr_Al-Ox_GIS-NaP1_6wm.dat
8.1 kB
gr_Al-Ox_chabazite_1wm.dat
6.6 kB
gr_Al-Ox_chabazite_2wm.dat
8.0 kB
gr_Al-Ox_chabazite_3wm.dat
7.4 kB
gr_Al-Ox_chabazite_4wm.dat
8.1 kB
gr_Al-Ox_chabazite_6wm.dat
8.2 kB
gr_Al-Ox_chabazite_8wm.dat
7.9 kB
gr_Al-Ox_faujasite_1wm.dat
6.3 kB
gr_Al-Ox_faujasite_2wm.dat
7.0 kB
gr_Al-Ox_faujasite_3wm.dat
7.6 kB
gr_Al-Ox_faujasite_4wm.dat
8.3 kB
gr_Al-Ox_faujasite_6wm.dat
8.2 kB
gr_Al-Ox_faujasite_8wm.dat
8.2 kB
gr_Al-Ox_ms5_1wm.dat
7.2 kB
gr_Al-Ox_ms5_2wm.dat
7.3 kB
gr_Al-Ox_ms5_3wm.dat
8.6 kB
gr_Al-Ox_ms5_4wm.dat
8.5 kB
gr_Al-Ox_ms5_6wm.dat
8.4 kB
gr_Al-Ox_ms5_8wm.dat
8.1 kB
size_GIS-NaP1.dat
88 Bytes
size_chabazite.dat
132 Bytes
size_faujasite.dat
132 Bytes
size_ms5.dat
132 Bytes
gr_ox_ox_water_clusters
gofr_4wm_B3LYP.dat
2.6 kB
gofr_4wm_PBE.dat
3.6 kB
gofr_6wm_B3LYP.dat
3.0 kB
gofr_6wm_PBE.dat
3.7 kB
gofr_8wm_B3LYP.dat
3.0 kB
gofr_8wm_PBE.dat
3.8 kB
sphericity
sphericity_GIS-NaP1.dat
91 Bytes
sphericity_chabazite.dat
204 Bytes
sphericity_faujasite.dat
204 Bytes
sphericity_ms5.dat
207 Bytes
sphericity_water_cluster_PBE.dat
156 Bytes