Quantum chemical studies on some seleanaphthalene derivatives


Turker L.

INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, vol.44, no.4, pp.657-660, 2005 (Journal Indexed in SCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 44 Issue: 4
  • Publication Date: 2005
  • Doi Number: 10.1016/j.saa.2004.07.025
  • Title of Journal : INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
  • Page Numbers: pp.657-660

Abstract

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.