Potential energy surfaces and mechanisms for activation of ethane by gas-phase Pt+: A density functional study

Chemical Physics Letters

Volumn 501, Issue 4-6, 2011, Pages 554-561

  Ye, Peng ^a   Ye, Q ^b   Zhang, Ganbing ^a   Cao, Zexing ^c  

^a HUBEI UNIVERSITY   (China)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^c XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; DIHYDROGEN; EXOTHERMICITY; EXPERIMENTAL STUDIES; FT-ICR MS; GASPHASE; OVERALL REACTIONS; RATE DETERMINING STEP;

DEHYDROGENATION; ETHANE; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

PLATINUM;

EID: 78650801553     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.11.015     Document Type: Article

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