Spherical aromaticity and electron delocalization in $${\text{C}}_8$$C8 and $${\text{B}}_4{\text{N}}_4$$B4N4 cubic systems
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DOI: 10.1007/s00214-018-2387-9
Abstract: The electronic structure of the two isoelectronic species $${\text{C}}_8$$C8 and $${\text{B}}_4{\text{N}}_4$$B4N4 has been studied at several ab initio levels (Hartree–Fock, CASSCF, CASPT2, and coupled cluster). For both systems, the total position spread tensor and the… read more here.
Keywords: text b4n4; text; electron delocalization; text text ... See more keywords