Theoretical insight into the second-order NLO response of the bis{4-[2-(4-pyridyl)ethenyl]benzoato}-zinc(II) metal-organic framework

Keyphrases

• Metal-organic Frameworks (MOFs) 100%
• Zinc Ion 100%
• Pyridyl 100%
• First Hyperpolarizability 100%
• Hyper-Rayleigh Scattering 100%
• Second-order Optical Nonlinearity 100%
• Cluster Size 66%
• Order of Magnitude 33%
• Density Functional Calculations 33%
• Structure-property Relationships 33%
• Strong Impact 33%
• Wave Function 33%
• Exchange-correlation Functionals 33%
• Donor-acceptor 33%
• Valence 33%
• Organic Molecular Crystals 33%
• Supramolecular Approach 33%
• Zn2+ 33%
• Cluster Approach 33%
• LANL2DZ 33%
• Calculation Method 33%
• Polarization Functions 33%
• Octupole 33%
• Second-order Nonlinear Optical Property 33%
• Diffuse Functions 33%

Chemistry

• Metal Organic Framework 100%
• Hyperpolarizability 100%
• Hyper Rayleigh Scattering 100%
• Density Functional Theory 33%
• Second-Order Nonlinear Optical Property 33%
• Structure 33%
• Number 33%
• Donor 33%
• Cation 33%
• Molecular Crystal 33%