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Potentials

Details of potentials that have either been created using CamCASP, or which we use often enough.

• Pyridine: many-body potentials

• Water potentials

• Methane potentials

• Water-methane potentials

• Molecule XIII from the 4th CCDC Blind Test (2007)

• TNB : trinitrobenzene

• BAP : Anisotropic model for benzene

• PAHAP : General anisotropic model for PAHs

• isoPAHAP : General isotropic model for PAHs

• thiophene
• Ar..CO2
• Ne..HCN

Some atomic shapes

Nitrogen