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    • Acyclic molecules with greatest HOMO-LUMO separation 

      Zhang, FJ; An, C; 张福基 (1999-11-15)
      In this paper, the acyclic Kekulean molecules with greatest HOMO-LUMO separation are determined. The values of the HOMO-LUMO separations of these molecules are also determined. (C) 1999 Elsevier Science B.V. All rights reserved.