Computer simulations of the solvatochromism of betaine-30

Keyphrases

• Solvatochromism 100%
• Betaine 100%
• Charge-shift 50%
• Charge Distribution 33%
• Solvent Molecules 33%
• Reorganization Energy 33%
• Solute 16%
• Electrostatic Interaction 16%
• Two-site Model 16%
• Acetonitrile 16%
• Electronic Structure Calculations 16%
• Absorption Spectra 16%
• Methanol 16%
• Monte Carlo Simulation 16%
• Phenolate 16%
• Solvent Effect 16%
• O Atom 16%
• Linear Response 16%
• Spectral Distribution 16%
• Solvent Polarity 16%
• Response Prediction 16%
• Effective Charge 16%
• Linear Behavior 16%
• Tetramethylsilane 16%
• Strong Hydrogen Bond 16%
• Pyridinium 16%
• Geometry Distribution 16%
• Shift Model 16%
• Spectral Calculations 16%
• Solvent Response 16%
• Hydroxylic Solvents 16%
• Ab Initio HF 16%

Chemistry

• Solvatochromism 100%
• Betaine 100%
• Charge Distribution 33%
• Reorganization Energy 33%
• ZINDO Calculation 33%
• Absorption Spectrum 16%
• Electronic State 16%
• Methanol 16%
• Monte Carlo Method 16%
• Phenolate 16%
• Hydrogen Bonding 16%
• Solvent Effect 16%
• Acetonitrile 16%
• Electrostatic Interaction 16%
• Tetramethylsilane 16%

Chemical Engineering

• Betaine 100%
• Methanol 16%
• Acetonitrile 16%