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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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