HIGH-SPIN HYDROCARBONS Academic Article uri icon

abstract

  • The existence of a class of (very) high-spin hydrocarbons is predicted on the basis of (a) new theorems for valence-bond models, (b) classical structure theory, (c) standard theorems for molecular orbital theory, (d) several small-system calculations with Hubbard and PPP Hamiltonians, and (e) a large-system cluster expansion calculation applied to the polyallyl high-spin candidates. Some properties, especially the magnetic ones, for these conjugated alternants are briefly discussed. 1982 American Institute of Physics.

published proceedings

  • JOURNAL OF CHEMICAL PHYSICS

author list (cited authors)

  • KLEIN, D. J., NELIN, C. J., ALEXANDER, S., & MATSEN, F. A.

citation count

  • 181

complete list of authors

  • KLEIN, DJ||NELIN, CJ||ALEXANDER, S||MATSEN, FA

publication date

  • September 1982