Quantum chemical calculations on the reaction of zinc and water in gas phase

Combustion Science and Technology

Volumn 186, Issue 1, 2014, Pages 24-33

  Yang, Weijuan ^a   Han, Zhijiang ^a   Zhou, Junhu ^a   Liu, Jianzhong ^a   Cen, Kefa ^a  

^a ZHEJIANG UNIVERSITY   (China)

Author keywords

Hydrolysis; Quantum chemistry; Rate constant; Reaction mechanism; Zinc

Indexed keywords

CALCULATIONS; DISSOCIATION; GASES; HYDROGEN PRODUCTION; HYDROLYSIS; II-VI SEMICONDUCTORS; RATE CONSTANTS; ZINC; ZINC OXIDE;

AB INITIO QUANTUM CHEMICAL METHODS; DISSOCIATION PROCESS; QUANTUM CHEMICAL CALCULATIONS; REACTION MECHANISM; TEMPERATURE RANGE; TRANSITION STATE; WATER-SPLITTING THERMOCHEMICAL CYCLES; ZINC OXIDE PARTICLES;

QUANTUM CHEMISTRY;

EID: 84894617260     PISSN: 00102202     EISSN: 1563521X     Source Type: Journal    
DOI: 10.1080/00102202.2013.846328     Document Type: Article

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