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Volumn 129, Issue 43, 2007, Pages 13201-13212

Structural requirements and reaction pathways in dimethyl ether combustion catalyzed by supported Pt clusters

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION; COMBUSTION; DENSITY FUNCTIONAL THEORY; REACTION RATES;

EID: 35848960359     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja073712z     Document Type: Article
Times cited : (58)

References (47)
  • 20
    • 35848938814 scopus 로고    scopus 로고
    • Barton, D. G. Ph.D. Dissertation, University of California at Berkeley, 1998.
    • Barton, D. G. Ph.D. Dissertation, University of California at Berkeley, 1998.
  • 29
    • 35848952178 scopus 로고    scopus 로고
    • The nudged elastic band is first used to optimize the forces along a set of fixed points chosen here to be equally spaced along the reaction path between the reactant and product. The climbing algorithm is subsequently used to isolate the point of highest energy. This method increases the energy of the structures along the reaction path to more quickly converge upon the transition state
    • The nudged elastic band is first used to optimize the forces along a set of fixed points chosen here to be equally spaced along the reaction path between the reactant and product. The climbing algorithm is subsequently used to isolate the point of highest energy. This method increases the energy of the structures along the reaction path to more quickly converge upon the transition state.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.