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Volumn 6, Issue 9, 2010, Pages 2896-2909

Quantum Mechanical and Quantum Mechanical/Molecular Mechanical Studies of the Iron-Dioxygen Intermediates and Proton Transfer in Superoxide Reductase

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EID: 77956565050     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct900599q     Document Type: Article
Times cited : (18)

References (67)
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    • Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See and http://www.pwscf.org
    • Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See http://www.quantum-espresso.org and http://www.pwscf.org.
  • 36
    • 0035841952 scopus 로고    scopus 로고
    • Cremer, D. Mol. Phys. 2001, 99 (23) 1899
    • (2001) Mol. Phys. , vol.99 , Issue.23 , pp. 1899
    • Cremer, D.1
  • 54
    • 0003926839 scopus 로고    scopus 로고
    • 2 nd ed.; John Wiley and Sons Ltd.: Chichester, U.K.
    • Jensen, F. Introduction to Computational Chemistry, 2 nd ed.; John Wiley and Sons Ltd.: Chichester, U.K., 2007; pp 153 - 159.
    • (2007) Introduction to Computational Chemistry , pp. 153-159
    • Jensen, F.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.