Density Functional Study of Absorption and Resonance Raman Spectra of Pyromellitic Diahydride (PMDA) Anion

2000 ◽  
Vol 104 (4) ◽  
pp. 845-851 ◽  
Author(s):  
T. Andruniow ◽  
M. Pawlikowski ◽  
M. Z. Zgierski
Keyword(s):  
Raman Spectra ◽  
Density Functional ◽  
Resonance Raman ◽  
Functional Study ◽  
Density Functional Study ◽  
Resonance Raman Spectra

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.

Sign in / Sign up

Export Citation Format

Share Document