Quantum chemical studies on some seleanaphthalene derivatives

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Turker L.

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

• Publication Type: Article / Article
• Volume: 44 Issue: 4
• Publication Date: 2005
• Doi Number: 10.1016/j.saa.2004.07.025
• Journal Name: INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
• Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Page Numbers: pp.657-660
• Middle East Technical University Affiliated: No

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.