Binding Energy in Cluster (BEC): An Effective Bridge Connecting Microscopic Structure and Macroscopic Properties of Molecular Crystal Materials

Key Points

• The central aim is to quantitatively correlate the macroscopic properties and microscopic structures of molecular crystals.
• Utilized advanced computational models to assess binding energy.
• Conducted comparisons between theoretical predictions and experimental data.
• Analyzed the relationship between microscopic and macroscopic characteristics.
• Demonstrated a significant link between binding energy and material properties.
• Found that traditional methods were insufficient for accurate predictions.
• Established a new framework for understanding molecular crystal behavior.