Theoretical Determination of Energy Transfer Processes and Influence of Symmetry in Lanthanide(III) Complexes: Methodological Considerations

Keyphrases

• Absorption Spectra 33%
• Complete Active Space Self-consistent Field (CASSCF) 33%
• Crystal Field 33%
• Emission Spectrum 33%
• Energy Band Diagram 33%
• Energy Gap 33%
• Energy Transfer 33%
• Energy Transfer Efficiency 33%
• Energy Transfer Pathway 33%
• Energy Transfer Process 100%
• Eu3+ 33%
• Expected Outcomes 33%
• Fragmentation Scheme 33%
• Lanthanide Complexes 100%
• Lanthanides 100%
• Ln(III) Complexes 33%
• Methodological Considerations 100%
• Most Probable 33%
• Multireference 33%
• Overlap Integral 66%
• Quantum Yield 33%
• Spectral Overlap 66%
• Symmetric Effect 33%
• Symmetry Analysis 33%
• Time-dependent Density Functional Theory 33%
• Triplet State 33%

Chemistry

• Absorption Spectrum 20%
• Band Gap 20%
• CASSCF Calculation 20%
• Crystal Field 20%
• Emission Spectra 20%
• Energy Transfer 60%
• Energy Transfer Processes 100%
• Lanthanoid Atom 100%
• Quantum Yield 20%
• Triplet State 20%