Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 25(22), p. 14268-14275, 2020
DOI: 10.1039/d0cp02475a
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On the formation of spherical aromatic endohedral buckminsterfullerene. Evaluation of M@C60 (M = Cr, Mo, W) from relativistic DFT calculations
Journal article published in 2020 by
Peter L. Rodríguez-Kessler 
,
Nickolas D. Charistos ,
R. Bruce King ,
Alvaro Muñoz-Castro
,
Nickolas D. Charistos ,
R. Bruce King ,
Alvaro Muñoz-Castro
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Abstract
The resulting M@C60endohedral fullerenes are 66-π electron neutral species exhibiting bonding properties and electronic structure mimicking the aromaticity and diamagnetic insulator behavior of alkali-C606−phases.