Structural and electronic properties of neodymium diiodide

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Atıf İçin Kopyala

Erkoc S.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.623, ss.79-81, 2003 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 623
• Basım Tarihi: 2003
• Doi Numarası: 10.1016/s0166-1280(02)00665-6
• Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.79-81
• Orta Doğu Teknik Üniversitesi Adresli: Hayır

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.