Vibronic coupling effects on the structure and spectroscopy of neutral and charged TiO2 clusters

INIS

• titanium oxides 100%
• coupling 100%
• spectroscopy 100%
• jahn-teller effect 100%
• cations 50%
• calibration 50%
• geometry 50%
• nanostructures 50%
• functionals 50%
• anions 50%
• electrons 50%
• shells 50%
• symmetry 50%
• benchmarks 50%
• symmetry breaking 50%

Chemistry

• CASSCF Calculation 100%
• Vibronic Coupling 100%
• DFT-B3LYP Calculation 100%
• Titanium Dioxide 100%
• Spectroscopy 100%
• Density Functional Theory 100%
• Radical Anion 50%
• Radical Cation 50%
• Time-Dependent Density Functional Theory 50%
• CCSD 50%
• Jahn-Teller Effect 50%