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Volumn 125, Issue 8, 2003, Pages 2136-2141

Stable mechanistically-relevant aromatic-based carbenium ions in zeolite catalysts

Author keywords

[No Author keywords available]

Indexed keywords

ENVIRONMENTAL IMPACT; PROTONS; SPECTROSCOPIC ANALYSIS; XYLENE; ZEOLITES;

EID: 0037467002     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0283302     Document Type: Article
Times cited : (100)

References (59)
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    • note
    • 29 was found to change by no more than 2 kJ/mol when extending the embedded cluster from 4 to 14 T.
  • 39
    • 0013454291 scopus 로고    scopus 로고
    • note
    • These parameters are: σH- o = 2.6059 Å, εH - o = 49.0901 K, σc - o = 3.0068, εc - o = 73.5985.
  • 41
    • 6344256147 scopus 로고
    • as implemented in the Discover software of Accelrys Inc.
    • Hagler, A. T.; Lifson, S.; Dauber, P. J. Am. Chem. Soc. 1979, 101, 5122. (as implemented in the Discover software of Accelrys Inc.).
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 5122
    • Hagler, A.T.1    Lifson, S.2    Dauber, P.3
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    • personal communication
    • Jentys, A.; Lecher, J. personal communication. 2002.
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    • note
    • ZPE) of 5 kJ/mol and room temperature, we calculate an electronic energy of adsorption between -67 and -73 kJ/mol.
  • 54
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    • Diplom Thesis, HumboIdt-Universität, Berliln
    • Tuma, C. Diplom Thesis, HumboIdt-Universität, Berliln, 2000.
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    • Tuma, C.1
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    • note
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    • and refs therein. MOLPRO is a package of ab initio programs written by Werner, H.-J.; Knowles, P. J. with contributions from Almlof, J.; Amos, R. D.: Berning, A.; Deegan, M. J. O.; Eckert, F.; Elbert, S. T.; Hampel, C.: Lindh, R.; Meyer, W.; Nicklass, A.; Peterson, K.; Pitzer, R.; Stone, A. J.; Taylor, P. R.; Mura, M. E.; Pulay, P.; Schuetz, M.; Stoll, H.; Thorsteinsson, T.; Cooper, D. L.
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    • Hampel, C.1    Peterson, K.A.2    Werner, H.J.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.