Pigment violet 19-a test case to define a simple method to simulate the vibronic structure of absorption spectra of organic pigments and dyes in solution

Chemistry

• Absorption Spectrum 100%
• Anharmonicity 16%
• Aqueous Solution 100%
• Base 16%
• Concentration 16%
• Correlation 33%
• Density Functional Theory 16%
• DFT-B3LYP Calculation 16%
• Dye 16%
• Electronic Band Structure 16%
• Energy 16%
• Excited State 66%
• Nonequilibrium 16%
• Optimization 33%
• Oscillator Strength 16%
• Pigment 100%
• Procedure 100%
• Purple 100%
• Shape 33%
• Spectra 33%
• Structure 100%
• Time-Dependent Density Functional Theory 16%
• UV/VIS Spectroscopy 33%
• Vibrational Frequency 50%