Vibrational frequency and LO–TO splitting determination for planar–zigzag β-poly(vinylidene fluoride) using density-functional theory

Polymer ◽  
2006 ◽  
Vol 47 (1) ◽  
pp. 424-428 ◽  
Author(s):  
Nicholas J. Ramer ◽  
Clifford M. Raynor ◽  
Kimberly A. Stiso
Keyword(s):  
Density Functional Theory ◽  
Vibrational Frequency ◽  
Density Functional ◽  
Vinylidene Fluoride ◽  
Functional Theory ◽  
Poly Vinylidene Fluoride

Electronic properties of poly(vinylidene fluoride): a density functional theory study

2009 ◽  
Vol 35 (6) ◽  
pp. 477-482 ◽  
Author(s):  
E. Ortiz ◽  
A. Cuán ◽  
C. Badillo ◽  
C.M. Cortés-Romero ◽  
Q. Wang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Properties ◽  
Density Functional ◽  
Vinylidene Fluoride ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Poly Vinylidene Fluoride

Ab initio HF and density-functional theory studies on the structure and vibrational frequency of huperzine A

1999 ◽  
Vol 488 (1-3) ◽  
pp. 21-28 ◽  
Author(s):  
Wei-Liang Zhu ◽  
Hua-Liang Jiang ◽  
Jian-De Gu ◽  
Jian-Zhong Chen ◽  
Jing-Kang Shen ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Vibrational Frequency ◽  
Density Functional ◽  
Huperzine A ◽  
Functional Theory ◽  
Ab Initio Hf
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