Closed-shell d¹⁰-d¹⁰ mechanochromic [AuPh(CNPh)]_n complex: quantum chemistry electronic and optical properties

Keyphrases

• Closed Shell 100%
• Spectroscopic Properties 100%
• Optical Properties 100%
• Quantum Chemistry 100%
• Electronic Properties 100%
• Mechanochromic 100%
• Electronic Structure 50%
• Density Functional Theory 50%
• Electronic Transitions 50%
• Absorption Spectra 50%
• Large Stokes Shift 50%
• Structural Properties 50%
• SCS-MP2 50%
• Post-Hartree-Fock 50%
• Aurophilic Interactions 50%
• Solid State Chemistry 50%
• Energy Absorption 50%
• Dispersion Effect 50%
• PBE-D3 50%
• Single Excitation 50%
• Excitation Time 50%
• Emission Energy 50%
• Intermetallic Interaction 50%
• Time-dependent Methods 50%

Chemistry

• Density Functional Theory 100%
• Optical Property 100%
• Quantum Chemistry 100%
• Electronic Property 100%
• Møller-Plesset Perturbation Theory 100%
• Structure 50%
• Electronic State 50%
• Electronic Transition 50%
• Absorption Spectrum 50%
• Solid-State Chemistry 50%
• Monomer 50%
• Intermetallic Compound 50%