Investigation on the molecular, electronic and spectroscopic properties of rosmarinic acid: an intuition from an experimental and computational perspective

Keyphrases

• Spectroscopic Properties 100%
• Rosmarinic Acid 100%
• Computational Perspective 100%
• Molecular Electronic Properties 100%
• M06-2X 66%
• Salbutamol 66%
• Asthma Treatment 66%
• Perturbation Energy 66%
• Inflammatory Diseases 33%
• Natural Products 33%
• Molecular Docking 33%
• Major Contributor 33%
• Fourier Transform Infrared Spectroscopy (FT-IR) 33%
• Asthma 33%
• Mode of Action 33%
• Isolated Compounds 33%
• Bond Length 33%
• Corticosteroids 33%
• 13C NMR 33%
• 1H nuclear Magnetic Resonance (1H NMR) 33%
• Natural Organic Matter 33%
• Geometry Analysis 33%
• Vibrational Analysis 33%
• NMR Studies 33%
• 1H-13C 33%
• Energy Gap 33%
• Reaction Parameters 33%
• Structural Stability 33%
• Natural Bond Orbital 33%
• Electron Transition 33%
• Frontier Molecular Orbital Analysis 33%
• Rosmarinus Officinalis 33%
• Quantum Descriptors 33%
• Binding Score 33%
• DFT Functionals 33%
• Minimum Side Effects 33%
• Molecular Modelling Analysis 33%
• Organic Treatment 33%
• Structural Reactivity 33%

Chemistry

• Molecular Electronics 100%
• Rosmarinic Acid 100%
• Fourier Transform Infrared Spectroscopy 33%
• 13C NMR Spectroscopy 33%
• Bond Length 33%
• 1H NMR Spectroscopy 33%
• Frontier Orbital 33%
• Band Gap 33%
• Natural Bond Orbital Analysis 33%
• Adrenal Cortex Hormone 33%
• Natural Product 33%
• Molecular Model 33%
• Density Functional Theory 33%
• Molecular Docking 33%

Biochemistry, Genetics and Molecular Biology

• Salbutamol 100%
• Corticosteroid 50%
• Docking (Molecular) 50%
• Agonist 50%
• Molecular Model 50%
• Rosmarinus 50%