Articulo
Formation of spherical aromatic endohedral metallic fullerenes. Evaluation of magnetic properties of m@c 28 (m = ti, zr, and hf) from dft calculations
Inorganic Chemistry
Registro en:
1140359
1140359
Autor
Muñoz-Castro, Álvaro Rafael
King, R Bruce
Institución
Resumen
The small C-28 cage has been shown experimentally to encapsulate titanium, zirconium, and hafnium (M), among other elements, Here, we explore computationally its magnetic response properties accounting for both global and local shielding tensors. Our res Regular FONDECYT FONDECYT