Predicting Bond Dissociation Energies and Bond Lengths of Coordinatively Unsaturated Vanadium-Ligand Bonds

Keyphrases

• Bond Length 100%
• Bond Dissociation Energy 100%
• Vanadium 100%
• Coordinatively Unsaturated 100%
• Bond Energy 40%
• Single Reference 40%
• Design Strategy 20%
• Electronic Structure 20%
• Multireference 20%
• Catalyst Design 20%
• Physical Properties 20%
• Highly Accurate 20%
• Valence 20%
• Coupled Cluster 20%
• Kohn-Sham Density Functional Theory 20%
• Diatomic Molecules 20%
• Exchange-correlation Functionals 20%
• Coupled Cluster Method 20%
• Coupled Cluster Calculations 20%
• Multireference Configuration Interaction 20%
• Electronic Structure Methods 20%
• Mn12 20%
• Practical Calculation Method 20%
• Transition Metal Compounds 20%
• Vanadium Compounds 20%
• C-N-S 20%
• Valence Electrons 20%

Chemistry

• Bond Length 100%
• Dissociation Energy 100%
• Vanadium 100%
• Electronic State 40%
• Bond Energy 40%
• Catalyst Design 20%
• Density Functional Theory 20%
• Coupled Cluster 20%
• Coupled Cluster Theory 20%
• Diatomic Molecule 20%
• Coupled Cluster Methods 20%
• Multireference Configuration Interaction 20%
• Transition Metal 20%