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Volumn 6, Issue 15, 2006, Pages 1867-1874

A computational study of oxidation of ruthenium porphyrins via ORu IV and ORuVIO species

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; GIBBS FREE ENERGY; OXIDATION; OXYGEN; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; RUTHENIUM; SPECTRUM ANALYSIS;

EID: 33645530355     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b513482j     Document Type: Article
Times cited : (14)

References (60)
  • 13
    • 0001011727 scopus 로고    scopus 로고
    • 2 binding to FeP, see:
    • A. Ghosh Acc. Chem. Res. 1998 31 189 198
    • (1998) Acc. Chem. Res. , vol.31 , pp. 189-198
    • Ghosh, A.1
  • 26
    • 33645502779 scopus 로고    scopus 로고
    • Thesis for the degree of doctor in philosophy in chemical physics, ISBN 91-7155-057-7
    • M. Lundberg, 2005, Thesis for the degree of doctor in philosophy in chemical physics, ISBN 91-7155-057-7; pp. i-viii, 1-67
    • (2005)
    • Lundberg, M.1
  • 41
    • 0037138912 scopus 로고    scopus 로고
    • Collman et al. proposed a mechanism for the reaction of molecular oxygen with ruthenium porphyrins:
    • D. V. Khoroshun D. G. Musaev K. Morokuma Mol. Phys. 2002 100 523 532
    • (2002) Mol. Phys. , vol.100 , pp. 523-532
    • Khoroshun, D.V.1    Musaev, D.G.2    Morokuma, K.3
  • 59
    • 33645526352 scopus 로고    scopus 로고
    • Schrödinger, Inc., Portland, OR, All structures were reoptimized at the BP86/LANL2DZ level with Gaussian98/03 package prior to the harmonic frequency calculations with the Gaussian package
    • Jaguar 4.0 and Jaguar 6.0, Schrödinger, Inc., Portland, OR, 1991-2000, 2005
    • (2005) Jaguar 4.0 and Jaguar 6.0 , pp. 1991-2000


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.