Reaction mechanism of platinum dimer cation with ammonia based on the relativistic density functional study

International Journal of Quantum Chemistry

Volumn 107, Issue 10, 2007, Pages 1985-1993

  Xu, Dan ^a   Chen, Xian Yang ^a   Wang, Shu Guang ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

DFT; NH3; Potential energy surface; Pt2+

Indexed keywords

ACTIVATION ENERGY; AMMONIA; DEGRADATION; DENSITY FUNCTIONAL THEORY; DIMERS; ENERGY BARRIERS; PLATINUM; POTENTIAL ENERGY SURFACES;

ENDOTHERMIC REACTION; ENERGY REACTION PATH; REACTION PATHS;

POSITIVE IONS;

EID: 34250850915     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21346     Document Type: Article

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