High‐spin hydrocarbons
作者： D. J. Klein , C. J. Nelin , S. Alexander , F. A. Matsen
DOI: 10.1063/1.444233
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摘要: The existence of a class (very) high‐spin hydrocarbons is predicted on the basis (a) new theorems for valence‐bond models, (b) classical structure theory, (c) standard molecular orbital (d) several small‐system calculations with Hubbard and PPP Hamiltonians, (e) large‐system cluster expansion calculation applied to polyallyl candidates. Some properties, especially magnetic ones, these conjugated alternants are briefly discussed.
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