Decisive interactions that determine ferro/antiferromagnetic coupling in {3d-4f} pairs: A case study on dinuclear {V(iv)-Gd(iii)} complexes

Keyphrases

• Antiferromagnetic Coupling 100%
• Dinuclear 100%
• J Value 100%
• 3d-4f Complex 100%
• DFT Calculations 66%
• Complete Active Space Self-consistent Field (CASSCF) 66%
• Antiferromagnetic Exchange 66%
• Magnetic Coupling 66%
• Methanol 33%
• Lanthanides 33%
• Weak Interactions 33%
• Experimental Values 33%
• Two-parameter 33%
• 2-complex 33%
• Dihedral Angle 33%
• Tetranuclear 33%
• Ferromagnetic Interaction 33%
• Angle Control 33%
• Keys to Success 33%
• Single-molecule Magnets 33%
• Polynuclear Complexes 33%
• Magneto-structural Correlations 33%
• NBO Analysis 33%
• MO Analysis 33%
• HFACS 33%

Chemistry

• Density Functional Theory 100%
• Antiferromagnetic 100%
• CASSCF Calculation 100%
• Antiferromagnetic Exchange 100%
• Structure 50%
• Transition Element 50%
• Methanol 50%
• Ground State 50%
• Lanthanoid Atom 50%
• Exchange Interaction 50%
• Dihedral Angle 50%