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Volumn 129, Issue 51, 2007, Pages 15766-15767

Alkane hydroxylation by a nonheme iron catalyst that challenges the heme paradigm for oxygenase action

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOL; ALKANE; HYDROGEN PEROXIDE; IRON; IRON COMPLEX; METHANE MONOOXYGENASE; OXYGEN; OXYGENASE;

EID: 37549028476     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja077761n     Document Type: Article
Times cited : (176)

References (20)
  • 18
    • 37549003588 scopus 로고    scopus 로고
    • DFT calculations were done using cyclohexane as a substrate. Geometries were optimized at the B3LYP level in junction of the LANL2DZ basis set with associated ECP for Fe. The energies were further refined by single-point calculations using the SDD basis set with associated ECP for Fe and 6-311G(d,p) basis sets on the other atoms as implemented in the Gaussian 03 program.
    • DFT calculations were done using cyclohexane as a substrate. Geometries were optimized at the B3LYP level in junction of the LANL2DZ basis set with associated ECP for Fe. The energies were further refined by single-point calculations using the SDD basis set with associated ECP for Fe and 6-311G(d,p) basis sets on the other atoms as implemented in the Gaussian 03 program.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.