scholarly journals Density functional theory study of the structures and properties of (Li3N)n(n=1—5) clusters

2008 ◽  
Vol 57 (7) ◽  
pp. 4174
Author(s):  
Chen Yu-Hong ◽  
Kang Long ◽  
Zhang Cai-Rong ◽  
Luo Yong-Chun ◽  
Pu Zhong-Sheng
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Structures And Properties

scholarly journals Confinement of hydrogen and hydroxyl radicals in water cages: a density functional theory study

RSC Advances ◽  
2017 ◽  
Vol 7 (24) ◽  
pp. 14537-14543 ◽  
Author(s):  
Liuxie Liu ◽  
Shuang Mao ◽  
Quan Li ◽  
Xiaolan Wang ◽  
Mingli Yang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydroxyl Radicals ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Structures And Properties

Radicals can be confined in water cages and exhibit similar structures and properties to their corresponding free forms.

scholarly journals Density functional theory study on the structures and properties of (Ca3N2)n(n=1—4) clusters

2008 ◽  
Vol 57 (10) ◽  
pp. 6265
Author(s):  
Chen Yu-Hong ◽  
Kang Long ◽  
Zhang Cai-Rong ◽  
Luo Yong-Chun ◽  
Yuan Li-Hua ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Structures And Properties
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