thc_archive.zip
thc_archive
EQeq_inputs
README.txt
843 Bytes
chargecenters.dat
491 Bytes
ionizationdata.dat
6.1 kB
force_field_THC_models
THC_fullmolecule.def
3.9 kB
THC_head.def
2.9 kB
force_field.def
88 Bytes
force_field_mixing_rules.def
6.0 kB
pseudo_atoms.def
3.6 kB
results
results_final.README.csv
3.2 kB
results_final.csv
313.5 kB