메뉴 건너뛰기




Volumn 104, Issue 13, 2000, Pages 2901-2907

A Density Functional Theory Study of a Silica-Supported Zirconium Monohydride Catalyst for Depolymerization of Polyethylene

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0001237449     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp994056v     Document Type: Article
Times cited : (67)

References (48)
  • 2
    • 0018771579 scopus 로고
    • Advances in Chemistry Series 183, American Chemical Society: Washinton, DC, Chapter 18
    • Shabtai, J.; Ramakrishnan, R.; Oblad, A. G. Thermal Hydrocarbon Chemistry; Advances in Chemistry Series 183, American Chemical Society: Washinton, DC, 1979; Chapter 18, p 297.
    • (1979) Thermal Hydrocarbon Chemistry , pp. 297
    • Shabtai, J.1    Ramakrishnan, R.2    Oblad, A.G.3
  • 14
    • 0004276702 scopus 로고    scopus 로고
    • Hanser Publishers, Munich, Vienna, New York
    • Moore, E. P., Jr., Ed. ; Polypropylene Handbook; Hanser Publishers, Munich, Vienna, New York, 1996.
    • (1996) Polypropylene Handbook
    • Moore E.P., Jr.1
  • 31
    • 0346414561 scopus 로고    scopus 로고
    • note
    • The calculated potential is fitted to a Morse potential. The nuclear Schrödinger equation can then be solved exactly for this anharmonic potential to give the energy difference between the first excited state and the ground state.
  • 46
    • 0347044827 scopus 로고    scopus 로고
    • The energy barrier changed by less than 2 kcal/mol when calculated with a planewave basis set
    • The energy barrier changed by less than 2 kcal/mol when calculated with a planewave basis set.
  • 47
    • 0000740908 scopus 로고
    • King, S. V. Nature 1967, 213, 1112.
    • (1967) Nature , vol.213 , pp. 1112
    • King, S.V.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.