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Volumn , Issue 7, 2011, Pages 1147-1154

Favorable protonation of the (μ-edt)[Fe2(PMe 3)4(CO)2(H-terminal)]+ hydrogenase model complex over its bridging μ-H counterpart: A spectroscopic and DFT study

Author keywords

Density functional calculations; Electronic structure; Enzyme models; IR spectroscopy; Potential energy surface; Protonation; Raman spectroscopy; FeFe hydrogenases

Indexed keywords

ACTIVATION ENERGY; CATALYST ACTIVITY; ELECTRONIC STRUCTURE; ENERGY BARRIERS; HYDRIDES; HYDROGEN PRODUCTION; ISOMERS; MOLECULAR ORBITALS; PLANTS (BOTANY); POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROTONATION;

EID: 79951869026     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.201001037     Document Type: Article
Times cited : (14)

References (76)
  • 16
    • 4544329387 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2004, 43, 1006-1009.
    • (2004) Angew. Chem. Int. Ed. , vol.43 , pp. 1006-1009
  • 21
    • 0033517680 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 1999, 38, 3178-3180.
    • (1999) Angew. Chem. Int. Ed. , vol.38 , pp. 3178-3180
  • 27
    • 0043269716 scopus 로고    scopus 로고
    • Angew. Chem. Int. Ed. 2003, 42, 3285-3288.
    • (2003) Angew. Chem. Int. Ed. , vol.42 , pp. 3285-3288
  • 76
    • 70349765498 scopus 로고    scopus 로고
    • Institut für Physikalische und Theoretische Chemie, Universität Bonn, Bonn, Germany
    • F. Neese, ORCA version 2.6, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Bonn, Germany, 2007.
    • (2007) ORCA Version 2.6
    • Neese, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.