Theoretical study on the reactions of Zr + and Zr with CO 2 in gas phase

Russian Journal of Physical Chemistry A

Volumn 84, Issue 13, 2010, Pages 2238-2246

  Dai, Guo Liang ^a   Wang, Cuang Feng ^a   Chen, Hao ^a   Wu, Jun Yong ^a   Yan, Hua ^a   Zhong, Ai Guo ^a  

^a TAIZHOU UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BOND ACTIVATION; DENSITY FUNCTIONAL THEORY CALCULATIONS; GASPHASE; MINIMUM ENERGY; REACTION ENERGETICS; REACTION MECHANISM; REACTION PATHS; REACTION STEPS; THEORETICAL RESULT; THEORETICAL STUDY;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; POSITIVE IONS; QUANTUM CHEMISTRY; TRANSITION METALS; ZIRCONIUM;

CARBON DIOXIDE;

EID: 84867347939     PISSN: 00360244     EISSN: None     Source Type: Journal    
DOI: 10.1134/S0036024410130066     Document Type: Article

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