Structural and electronic properties of neodymium diiodide


Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.623, ss.79-81, 2003 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 623
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1016/s0166-1280(02)00665-6
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.79-81

Özet

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.