From atomic structure to excess entropy: a neutron diffraction and density functional theory study of CaO−Al2O3−SiO2melts

2016 ◽  
Vol 28 (13) ◽  
pp. 135102 ◽  
Author(s):  
Maoyuan Liu ◽  
Aurélie Jacob ◽  
Clemens Schmetterer ◽  
Patrick J Masset ◽  
Louis Hennet ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Neutron Diffraction ◽  
Atomic Structure ◽  
Density Functional ◽  
Excess Entropy ◽  
Density Functional Theory Study ◽  
Functional Theory

scholarly journals Density functional theory study on the atomic structure and electronic states of Cu(100) (2×22)R45°-O surface

2005 ◽  
Vol 54 (11) ◽  
pp. 5350
Author(s):  
Cai Jian-Qiu ◽  
Tao Xiang-Ming ◽  
Chen Wen-Bin ◽  
Zhao Xin-Xin ◽  
Tan Ming-Qiu
Keyword(s):  
Density Functional Theory ◽  
Atomic Structure ◽  
Density Functional ◽  
Electronic States ◽  
Density Functional Theory Study ◽  
Functional Theory
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