Nature of the interaction of paramagnetic atoms (A = ⁴N,⁴P,³O,³S) with π systems and C₆₀: A theoretical investigation of A⋯C₆H₆ and endohedral fullerenes A @ C₆₀

Chemistry

• Binding Energy 100%
• Noble Gas Atom 100%
• Unrestricted Hartree-Fock Calculation 100%
• Benzene 100%
• Density Functional Theory 100%
• Wave Function 100%

Keyphrases

• Endohedral Fullerenes 100%
• Benzene 50%
• Nature of Interactions 50%
• Binding Energy 50%
• Single Reference 50%
• Density Functional Method 50%
• Hartree-Fock Wave Function 50%
• Paramagnetic Complexes 50%
• Restricted Hartree-Fock 50%
• Rare Gas Complexes 50%