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Molecule Simulation (2) - analysis of structural and Charge parameters from Output files.
Автор: Learn with NAN
Загружено: 2025-11-21
Просмотров: 10
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This video describes the analyses methods of structural properties such as the ground state energy, the binding energy of atoms in molecule, the bond angle, and the charge distribution parameters such as Mulliken and NBO charge, HOMO-LUMO energy, and their energy gap.
The link of the previous video on simulating procedures of a molecule:
• Molecule simulation - How to build and opt...
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