A density-functional study of the structural, electronic, magnetic, and vibrational properties of Ti8C12 metallocarbohedrynes

2005 ◽  
Vol 123 (15) ◽  
pp. 154106 ◽  
Author(s):  
M. A. Sobhy ◽  
A. W. Castleman ◽  
J. O. Sofo
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Vibrational Properties ◽  
Density Functional Study

Structural and Vibrational Properties of Trehalose:  A Density Functional Study

2000 ◽  
Vol 104 (26) ◽  
pp. 6313-6317 ◽  
Author(s):  
P. Ballone ◽  
M. Marchi ◽  
C. Branca ◽  
S. Magazú
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Vibrational Properties ◽  
Density Functional Study

Vibrational properties of molecule and crystal of TATB: A comparative density functional study

2006 ◽  
Vol 358 (1) ◽  
pp. 63-69 ◽  
Author(s):  
Hong Liu ◽  
Jijun Zhao ◽  
Guangfu Ji ◽  
Dongqing Wei ◽  
Zizheng Gong
Keyword(s):  
Density Functional ◽  
Functional Study ◽  
Vibrational Properties ◽  
Density Functional Study
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