Electronic structure and molecular properties of the octacyanorhenate [Re(CN)₈]^3- and [Re(CN)₈]^2- complexes

Keyphrases

• Molecular Properties 100%
• Electronic Structure Properties 100%
• 2-complex 100%
• B3LYP 50%
• Electronic Transitions 50%
• Density Functional Calculations 50%
• Scalar 50%
• Electronic Excitation 50%
• Density Functional 50%
• Relativistic Calculations 50%
• Polarizable Continuum Model 50%
• G-tensor 50%
• Time-dependent Density 50%
• Oscillator Strength 50%
• Relativistic Density Functional 50%
• Dodecahedral 50%

Chemistry

• Electronic State 100%
• Luminiscence Type 100%
• Molecular Property 100%
• DFT-B3LYP Calculation 50%
• Electronic Transition 50%
• Electronic Excitation 50%
• Relativistic Calculation 50%
• Oscillator Strength 50%