Raman Spectra of Liquid β-Phenylethylamine and Density Functional Theory Calculations

2011 ◽  
Vol 38 (2) ◽  
pp. 0215001
Author(s):  
谢敏 Xie Min ◽  
胡勇军 Hu Yongjun ◽  
谷怀民 Gu Huaimin
Keyword(s):  
Density Functional Theory ◽  
Raman Spectra ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory

Density functional study of the phase stability and Raman spectra of Yb2O3, Yb2SiO5 and Yb2Si2O7 under pressure

2018 ◽  
Vol 20 (24) ◽  
pp. 16518-16527 ◽  
Author(s):  
Takafumi Ogawa ◽  
Noriko Otani ◽  
Taishi Yokoi ◽  
Craig A. J. Fisher ◽  
Akihide Kuwabara ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Hydrostatic Pressure ◽  
Raman Spectra ◽  
Phase Stability ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Study ◽  
Functional Theory ◽  
Density Functional Study

The phase stability and Raman spectra of Yb2O3, Yb2SiO5 and Yb2Si2O7 under hydrostatic pressure are investigated using density functional theory calculations.

Investigating Raman spectra and density functional theory calculations on SrAl2 O4 polymorphs

2018 ◽  
Vol 50 (1) ◽  
pp. 91-101 ◽  
Author(s):  
Rocío Estefanía Rojas-Hernandez ◽  
Wilfredo More ◽  
Fernando Rubio-Marcos ◽  
José Francisco Fernandez
Keyword(s):  
Density Functional Theory ◽  
Raman Spectra ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Functional Theory
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