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Volumn 109, Issue 32, 2005, Pages 7046-7056

Cluster size selectivity in the product distribution of ethene dehydrogenation on niobium clusters

Author keywords

[No Author keywords available]

Indexed keywords

ETHENE DEHYDROGENATION; GAS-KINETIC COLLISION RATE; KINETIC ANALYSIS; THERMOCHEMISTRY;

EID: 24344477100     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0506944     Document Type: Article
Times cited : (15)

References (52)
  • 15
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    • Zakin, M. R.; Cox, D. M.; Kaldor, A. 1987, 97, 5224.
  • 17
    • 24344475755 scopus 로고    scopus 로고
    • St. Pierre, R. J.; Chronister, E. L.; El-Sayed, M. A. 1987, 97, 5228
    • St. Pierre, R. J.; Chronister, E. L.; El-Sayed, M. A. 1987, 97, 5228.
  • 19
    • 0001312939 scopus 로고    scopus 로고
    • Ritter, D.; Carroll, J. J.; Weisshaar, J. C. 1992, 96, 10636
    • Ritter, D.; Carroll, J. J.; Weisshaar, J. C. 1992, 96, 10636.
  • 29
    • 24344500544 scopus 로고    scopus 로고
    • note
    • On-axis mass detection was employed for product mass analysis and the sequential kinetics analysis due to higher signal-to-noise ratio performance in this mode. Metal cluster removal rate analysis was done with data obtained from off-axis mass detection. No significant difference in the data obtained with the two configurations of detection used was noted, with the exception of improved resolution with off-axis detection at the expense of signal-to-noise which was somewhat worse.
  • 32
    • 0003838469 scopus 로고    scopus 로고
    • Wiley-VCH: Weinheim, Federal Republic of Germany
    • The difficulties are related with correlation and exchange effects of variable occupation of nd, (n + 1 )s, and (n + 1 )p valence orbitals, the lack of an unambiguous reference energy in approximate DFT, and relativistic effects. See, for example, Koch, W.; Holthausen, M. C. A Chemist's Guide to Density Functional Theory; Wiley-VCH: Weinheim, Federal Republic of Germany, 2001; pp 149-156.
    • (2001) A Chemist's Guide to Density Functional Theory , pp. 149-156
    • Koch, W.1    Holthausen, M.C.2
  • 42
    • 15744398804 scopus 로고    scopus 로고
    • Johannes Kepler University: Linz, Austria, 2000; MOLEKEL 4.0 P. Flükiger, P.; Lüthi, H. P.; Portmann, S.; Weber, J. Swiss Center for Scientific Computing: Manno, Switzerland
    • Müller, N.; Falk, A. Bail & Stick 3.7.6, molecular graphics software for MacOS, Johannes Kepler University: Linz, Austria, 2000; MOLEKEL 4.0 P. Flükiger, P.; Lüthi, H. P.; Portmann, S.; Weber, J. Swiss Center for Scientific Computing: Manno, Switzerland, 2000.
    • (2000) Bail & Stick 3.7.6, Molecular Graphics Software for MacOS
    • Müller, N.1    Falk, A.2
  • 43
    • 24344445396 scopus 로고    scopus 로고
    • note
    • τ is determined directly using the delay time between the cluster generation pulse and the detection pulse. The latter is multiplied by the fraction of the total flow reactor length over which the clusters are exposed to the reagent, to obtain τ.
  • 46
    • 24344438747 scopus 로고    scopus 로고
    • note
    • 2).
  • 50
    • 24344448366 scopus 로고    scopus 로고
    • note
    • -1.
  • 51
    • 24344461497 scopus 로고    scopus 로고
    • note
    • Although we feel confident that we have established the global minima for these systems, we recognize that, were the global minima structures shown to have a significantly different structure, the trend in extent of dehydrogenation and its interpretation would need to be revisited.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.