Crotonaldehyde adsorption on Ir(1 1 1), an interesting trans- and cis-configuration transformation

Applied Surface Science

Volumn 357, Issue , 2015, Pages 369-375

  Yang, Yan Ju ^a   Teng, Bo Tao ^a   Liu, Ya ^a   Wen, Xiao Dong ^b  

^a ZHEJIANG NORMAL UNIVERSITY   (China)

^b INSTITUTE OF COAL CHEMISTRY   (China)

Author keywords

Configuration transformation; Crotonaldehyde; Density functional theory; Ir(1 1 1)

Indexed keywords

ALDEHYDES; GASES; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

ADSORPTION BEHAVIOR; CHARGE DENSITY DIFFERENCE; CIS CONFIGURATIONS; CONFIGURATION TRANSFORMATION; CROTONALDEHYDE; DENSITY FUNCTIONAL THEORY METHODS; ELECTRONIC INTERACTIONS; SELECTIVE HYDROGENATION;

DENSITY FUNCTIONAL THEORY;

EID: 84949488490     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2015.09.039     Document Type: Article

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