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Volumn 128, Issue 16, 2006, Pages 5322-5323

Design of effective zeolite catalysts for the complete hydrogenation of CO2

Author keywords

[No Author keywords available]

Indexed keywords

CARBON DIOXIDE; ZEOLITE;

EID: 33646462339     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0602492     Document Type: Article
Times cited : (64)

References (28)
  • 1
    • 18644385222 scopus 로고    scopus 로고
    • For a general overview, see: Hoffert, M. I.; et al. Science 2002, 298, 981.
    • (2002) Science , vol.298 , pp. 981
    • Hoffert, M.I.1
  • 2
    • 33646447834 scopus 로고    scopus 로고
    • note
    • We recognize that our process will also require an inexpensive and nonpolluting source of H2. perhaps from photovoltaic generation, but this aspect is not addressed here.
  • 3
  • 15
    • 0347292989 scopus 로고    scopus 로고
    • Auerbach, S. M., Carrado, K. A., Dutta, P. K., Eds. Dekker: New York
    • For an overview of zeolites and their applications, see: Auerbach, S. M., Carrado, K. A., Dutta, P. K., Eds. Handbook of Zeolite Science and Technology; Dekker: New York. 2003.
    • (2003) Handbook of Zeolite Science and Technology
  • 19
    • 33646463167 scopus 로고    scopus 로고
    • note
    • Geometries were obtained at the B3-LYP/6-31+G(d,p) level of theory. Improved relative energies were obtained at the MP2/G3MP2Large level, with the incorporation of scaled (by 0.9806) zero-point vibrational energies (ZPVEs) derived from B3-LYP/6-31+G(d,p) frequencies.
  • 26
    • 33646456488 scopus 로고    scopus 로고
    • note
    • We note that, in principle, reactions involving a metal-cation-containing catalyst, such as 2, give a carboxylate/alkoxide plus the protonated catalyst as products. However, our calculations indicate that there is little barrier to the regeneration of the active catalyst.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.