Theoretical Study of Oxygen Adsorption on Pure Aun+1+and Doped MAun+Cationic Gold Clusters for M = Ti, Fe andn= 3−7

2008 ◽  
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Eva M. Fernández ◽  
Luis C. Balbás
2008 ◽  
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Antonino Martorana ◽  
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David Hill ◽  
Julia Laskin

Loss of substituted phosphine ligands is strongly correlated with the electron donating ability of the phosphorous lone pair. The results indicate that the relative ligand binding energies increase in the order PMe3 < PPhMe2 < PPh2Me < PPh3 < PPh2Cy < PPhCy2 < PCy3.


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2016 ◽  
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Qing-Bo Yan ◽  
Jun Ma ◽  
Xizi Cao ◽  
Xiaopeng Xing ◽  
...  

Adsorption of CO on cationic gold clusters is insensitive to the structural details of the adsorption site.


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Mingzhe Zhang ◽  
Yusaku Hakoishi ◽  
Yukatsu Shichibu ◽  
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Tetsuya Taketsugu
Keyword(s):  

2009 ◽  
Vol 27 (1) ◽  
pp. 65-81 ◽  
Author(s):  
Purshotam Sharma ◽  
Sitansh Sharma ◽  
Abhijit Mitra ◽  
Harjinder Singh

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