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openmopac
PM6-ORG
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Old PM6-ORG supplementary material website for MOPAC
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Compare PM6-ORG and PDB protein geometries
Compare PM6-ORG and PDB protein geometries
Data normal
Data normal
Param Manual
Param Manual
Protein_files
Protein_files
Surveys
Surveys
data_molecules
data_molecules
.gitignore
.gitignore
Accuracy of PM6-ORG PM6-D3H4X and PM7.html
Accuracy of PM6-ORG PM6-D3H4X and PM7.html
All Intermolecular interactions.html
All Intermolecular interactions.html
Compare PM6-ORG and PDB protein geometries.html
Compare PM6-ORG and PDB protein geometries.html
Files Source Code.zip
Files Source Code.zip
LICENSE
LICENSE
MOPAC_and_PARAM_executables_for_Linux.zip
MOPAC_and_PARAM_executables_for_Linux.zip
MOPAC_and_PARAM_executables_for_MacOS.zip
MOPAC_and_PARAM_executables_for_MacOS.zip
MOPAC_and_PARAM_executables_for_Windows.zip
MOPAC_and_PARAM_executables_for_Windows.zip
PARAM.zip
PARAM.zip
PM6-D3H4 water hydrogen bonds.html
PM6-D3H4 water hydrogen bonds.html
Programs and files for analyzing results.zip
Programs and files for analyzing results.zip
Proteins.html
Proteins.html
Proteins.xlsx
Proteins.xlsx
README.md
README.md
Select Source Code.zip
Select Source Code.zip
Source code.zip
Source code.zip
Statistics for Intermolecular interactions.html
Statistics for Intermolecular interactions.html
Stats_for_Dipole_Moments_per_Element.html
Stats_for_Dipole_Moments_per_Element.html
Stats_for_Heats_of_Formation_per_Element.html
Stats_for_Heats_of_Formation_per_Element.html
Stats_for_Ionization_Potentials_per_Element.html
Stats_for_Ionization_Potentials_per_Element.html
Stats_for_angles.html
Stats_for_angles.html
Stats_for_angles_for_sets_of_elements.html
Stats_for_angles_for_sets_of_elements.html
Stats_for_bond_lengths.html
Stats_for_bond_lengths.html
Stats_for_bond_lengths_for_sets_of_elements.html
Stats_for_bond_lengths_for_sets_of_elements.html
common.txt
common.txt
data normal.html
data normal.html
index.html
index.html
table_of_dips.html
table_of_dips.html
table_of_geos.html
table_of_geos.html
table_of_heats.html
table_of_heats.html
table_of_heats_for_All.html
table_of_heats_for_All.html
table_of_heats_for_D3H4 Ionic.html
table_of_heats_for_D3H4 Ionic.html
table_of_heats_for_Dimers of Water.html
table_of_heats_for_Dimers of Water.html
table_of_heats_for_L7.html
table_of_heats_for_L7.html
table_of_heats_for_Repulsive interactions.html
table_of_heats_for_Repulsive interactions.html
table_of_heats_for_S12L.html
table_of_heats_for_S12L.html
table_of_heats_for_S22.html
table_of_heats_for_S22.html
table_of_heats_for_S66.html
table_of_heats_for_S66.html
table_of_heats_for_X40.html
table_of_heats_for_X40.html
table_of_ips.html
table_of_ips.html
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PM6-ORG
Old PM6-ORG supplementary material website for MOPAC
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Old PM6-ORG supplementary material website for MOPAC
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