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Volumn 114, Issue 23, 2010, Pages 10572-10579

Interactions, behavior, and stability of fluorenone inside zeolite nanochannels

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; FUNCTIONAL MATERIALS; MOLECULAR DYNAMICS; STRUCTURAL OPTIMIZATION; ZEOLITES;

EID: 77953514808     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp101635p     Document Type: Article
Times cited : (48)

References (61)
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    • Intracage Chemistry in Zeolitic Systems: The Car-Parrinello Approach
    • Basiuk, V. A.; Ugliengo, P., Eds.; American Scientific Publishers: Stevenson Ranch, CA
    • Tabacchi, G.; Gamba, A.; Fois, E. Intracage Chemistry in Zeolitic Systems: The Car-Parrinello Approach. In Quantum Chemical Calculations of Surfaces and Interfaces of Materials; Basiuk, V. A.; Ugliengo, P., Eds.; American Scientific Publishers: Stevenson Ranch, CA, 2009; pp 65 - 87.
    • (2009) Quantum Chemical Calculations of Surfaces and Interfaces of Materials , pp. 65-87
    • Tabacchi, G.1    Gamba, A.2    Fois, E.3
  • 28
    • 33751265853 scopus 로고
    • MPI für Festkörperforschung: Stuttgart, Germany, IBM Zürich Research Laboratory: Zürich, Switzerland. www.cpmd.org
    • CPMD Code; MPI für Festkörperforschung: Stuttgart, Germany, IBM Zürich Research Laboratory: Zürich, Switzerland, 1990-2009; www.cpmd.org.
    • (1990) CPMD Code
  • 44
    • 0038626673 scopus 로고    scopus 로고
    • revision D.02; Gaussian, Inc.: Wallingford, CT
    • Frisch, M. J.; et al. Gaussian 03, revision D.02; Gaussian, Inc.: Wallingford, CT, 2004.
    • (2004) Gaussian 03
    • Frisch, M.J.1
  • 52
    • 85043078108 scopus 로고    scopus 로고
    • c-like structure was observed in the room-temperature trajectory, but it was built up by manual modeling, as a control
    • c-like structure was observed in the room-temperature trajectory, but it was built up by manual modeling, as a control.
  • 54
    • 85043075836 scopus 로고    scopus 로고
    • *.
    • *.
  • 60
    • 85043079882 scopus 로고    scopus 로고
    • +/acetone pair (see the Supporting Information)
    • +/acetone pair (see the Supporting Information).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.