atomic coordinates.zip
atomic coordinates
crystals
pbi2-2dmso-ppd.cif
5.3 kB
pbi2-2dmso.cif
5.0 kB
pbi2-dmf-ppd.cif
6.6 kB
pbi2-dmf.cif
6.4 kB
pbi2-dmso-ppd.cif
5.9 kB
pbi2-dmso.cif
5.6 kB
molecules
2dmf-pbi2.xyz
1.9 kB
2dmf-sni2.xyz
1.9 kB
2dmso-pbi2.xyz
1.6 kB
2dmso-sni2-ppd.xyz
2.7 kB
2dmso-sni2.xyz
1.6 kB
3dmf-pbi2.xyz
2.7 kB
3dmf-sni2.xyz
2.7 kB
3dmso-sni2-ppd.xyz
3.4 kB
3dmso-sni2.xyz
2.3 kB
4dmf-pbi2.xyz
3.5 kB
4dmf-sni2.xyz
3.5 kB
4dmso-pbi2.xyz
3.0 kB
4dmso-sni2.xyz
3.0 kB
aniline-3dmso-sni2.xyz
3.2 kB
aniline.xyz
983 Bytes
benzene-3dmso-sni2.xyz
3.1 kB
benzene.xyz
842 Bytes
dmf-pbi2.xyz
1.1 kB
dmf-sni2.xyz
1.1 kB
dmf.xyz
849 Bytes
dmso-pbi2.xyz
923 Bytes
dmso-sni2.xyz
923 Bytes
dmso.xyz
714 Bytes
m-phenylenediamine.xyz
1.1 kB
mpd-3dmso-sni2.xyz
3.4 kB
o-phenylenediamine.xyz
1.1 kB
opd-3dmso-sni2.xyz
3.4 kB
p-phenylenediamine.xyz
1.1 kB
phenol-3dmso-sni2.xyz
3.2 kB
phenol.xyz
912 Bytes
toluene-3dmso-sni2.xyz
3.3 kB
toluene.xyz
1.0 kB
trajectories
pbi2-2dmso-ppd-final-configuration.xyz
7.1 kB
pbi2-2dmso-ppd-initial-configuration.xyz
7.1 kB
pbi2-dmso-ppd-final-configuration.xyz
7.9 kB
pbi2-dmso-ppd-initial-configuration.xyz
7.9 kB
sni2-3dmso-ppd-final-configuration.xyz
2.8 kB
sni2-3dmso-ppd-initial-configuration.xyz
2.8 kB