Molecular Descriptor Calculation "Structural Calculations"
We have a lineup that allows for the calculation of partial charge, polarization rate, and electronegativity!
Patocoa handles the 'Structural Calculations Group', which is suitable for calculations of charge, conformer generation, localized energy, and more. We offer a lineup that includes the "Charge Plugin," which can calculate partial charges, polarizability, and electronegativity, as well as the "Conformation Plugin" and "Geometry Plugin." 【Features】 ■ Charge Plugin: Calculation of partial charges, polarizability, and electronegativity ■ Conformation Plugin: Generation of conformers, superposition, and MD calculations ■ Geometry Plugin: Calculation of various geometric parameters of molecules *For more details, please refer to the PDF materials or feel free to contact us.
- Company：パトコア
- Price：Other
