Computational study on cycloisomerization/oxidative dimerization of aryl propargyl ethers catalyzed by gold nanoclusters: Mechanism and selectivity

Organometallics

Volumn 33, Issue 22, 2014, Pages 6633-6642

  Tang, Dianyong ^a   Chen, Zhongzhu ^a   Zhang, Jin ^a   Tang, Ying ^a   Xu, Zhigang ^a  

^a CHONGQING UNIVERSITY OF ARTS AND SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; CATALYSIS; CATALYST ACTIVITY; CATALYST SELECTIVITY; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; DIMERIZATION; ENERGY BARRIERS; ETHERS; GOLD; GOLD COMPOUNDS; ISOMERIZATION; NANOCLUSTERS;

ADSORPTION ENERGIES; BINDING STRENGTH; COMPUTATIONAL STUDIES; CYCLOISOMERIZATIONS; GOLD NANOCLUSTER; OXIDATIVE DIMERIZATION; PRODUCT DISTRIBUTIONS; SUBSTITUENT EFFECT;

EXPERIMENTS;

EID: 84912550593     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om5009499     Document Type: Article

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