Quantum chemical studies on some seleanaphthalene derivatives


Turker L.

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, cilt.44, ss.657-660, 2005 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 44 Konu: 4
  • Basım Tarihi: 2005
  • Doi Numarası: 10.1016/j.saa.2004.07.025
  • Dergi Adı: INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
  • Sayfa Sayıları: ss.657-660

Özet

Quantum chemical studies on certain selenanaphthalene derivatives (having a keto or enol group and also Se atom in five- or six-membered ring system fused with naphthalene moiety) have been carried out using PM3 method at the level of restricted Hartree-Fock approach. The aquated systems have also been considered.