Quantum chemical calculations of the isomer shift in iron(II) complexes of 1,2,4-triazoles with a 1 A 1 → 5 T 2 spin transition

Journal of Structural Chemistry

Volumn 47, Issue 6, 2006, Pages 1177-1181

  Varnek, V A ^a   Kryuchkova, N A ^a   Bushuev, M B ^a  

^a NIKOLAEV INSTITUTE OF INORGANIC CHEMISTRY   (Russian Federation)

Author keywords

DFT method; Iron(II) complexes with 1,2,4 triazoles; Isomer shift; M ssbauer spectroscopy; Quantum chemical calculations; Spin transitions

Indexed keywords

EID: 34247342138     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10947-006-0441-2     Document Type: Article

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