Molecular Insights into Herniarin: Structural, Spectroscopic, Electronic and Thermodynamic Characterization Via Density Functional Theory

Key Points

• Molecular structure and electronic properties of Herniarin were characterized through density functional theory analysis.
• Key findings reveal detailed spectroscopic signatures supporting thermodynamic characterization in Herniarin.
• Assessment using density functional theory addressed electronic and molecular structure properties of Herniarin.
• Highlights the need for additional experimental validation of theoretical findings regarding Herniarin.