Structural and electronic properties of neodymium diiodide


Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.623, pp.79-81, 2003 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 623
  • Publication Date: 2003
  • Doi Number: 10.1016/s0166-1280(02)00665-6
  • Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.79-81

Abstract

Structural and electronic properties of neodymium diiodide has been investigated by performing ab initio calculation within unrestricted Hartree-Fock level using compact effective potential-4G basis set. The structural, electronic, and vibrational properties of NdI2 triatom have been calculated in its ground state. (C) 2002 Elsevier Science B.V. All rights reserved.