A novel approach to chemical resemblance of alternant hydrocarbons


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.578, ss.191-197, 2002 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 578
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1016/s0166-1280(01)00713-8
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.191-197

Özet

Within the constraints of the Huckel molecular orbital theory, a topological approach has been developed for the resemblance of alternant hydrocarbons. Four topological variables are considered which categorize alternant hydrocarbons having some resemblance of certain degree between them. Depending on variations of these topological variables, various groups of the compounds, including the identity case, various isomers and nonresembling systems have been investigated. (C) 2002 Elsevier Science B.V. All rights reserved.