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Volumn 129, Issue 5, 2007, Pages 1151-1159

New members of a class of iron-thiolate-nitrosyl compounds: Trinuclear iron-thiolate-nitrosyl complexes containing Fe3S6 core

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; COMPUTATIONAL GEOMETRY; INFRARED RADIATION; MAGNETIC VARIABLES MEASUREMENT; OXIDATION; PARAMAGNETIC RESONANCE; SYNTHESIS (CHEMICAL); X RAY DIFFRACTION ANALYSIS;

EID: 33846827088     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja065401e     Document Type: Article
Times cited : (20)

References (51)
  • 41
  • 51
    • 33846824159 scopus 로고    scopus 로고
    • For calculating the 〈S2〉 values, the following formula was implemented in the ADF algorithm: 〈S 2〉uhf, 〈S2〉 exac1, Nβ, ΣiN ΣjN |Sijαβ| and 〈S2〉exac1, N α, Nβ)/2, Nα, Nβ/2, 1, Sij is the overlap integral of α-orbital i with β-orbital j, and N is the number of electrons where Nα ≥ N β
    • β.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.