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Volumn , Issue 6, 2001, Pages 1441-1448

On the relevance of mono- and dinuclear iron carbonyl complexes to the fixation and stepwise hydrogenation of N2

Author keywords

Ab initio calculations; Carbonyl ligands; Density functional theory; Hydrogenation; Iron; Nitrogen fixation

Indexed keywords

HYDRAZINE; HYDROGENATION; IRON COMPOUNDS; LIGANDS; NITROGEN FIXATION;

EID: 0034965213     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-0682(200106)2001:6<1441::aid-ejic1441>3.0.co;2-g     Document Type: Article
Times cited : (7)

References (57)
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    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, Universität Stuttgart and University of Birmingham
    • MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, Universität Stuttgart and University of Birmingham.
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    • 0004241711 scopus 로고
    • Marburg
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    • 8 metals, whereas σ-donor ligands prefer axial coordination sites. See, for example: [26a] A. R. Rossi, R. Hoffmann, Inorg. Chem. 1975, 14, 365-374.
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    • note
    • 4 use the B3LYP/{II + 6-311+G(d,p)}//B3LYP/II combination of methods.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.