Vibration Frequencies of Mg3Al2Si3O12 Pyrope. An ab initio Study with the CRYSTAL Code.

ChemInform ◽  
2005 ◽  
Vol 36 (25) ◽  
Author(s):  
Fabien Pascale ◽  
Claudio M. Zicovich-Wilson ◽  
Roberto Orlando ◽  
Carla Roetti ◽  
Piero Ugliengo ◽  
...  
Keyword(s):  
Ab Initio ◽  
Vibration Frequencies ◽  
Ab Initio Study ◽  
Crystal Code

Vibration Frequencies of Ca3Fe2Si3O12Andradite:  An ab Initio Study with the CRYSTAL Code

2005 ◽  
Vol 109 (39) ◽  
pp. 18522-18527 ◽  
Author(s):  
F. Pascale ◽  
M. Catti ◽  
A. Damin ◽  
R. Orlando ◽  
V. R. Saunders ◽  
...  
Keyword(s):  
Ab Initio ◽  
Vibration Frequencies ◽  
Ab Initio Study ◽  
Crystal Code

Vibration Frequencies of Mg3Al2Si3O12Pyrope. An ab Initio Study with the CRYSTAL Code

2005 ◽  
Vol 109 (13) ◽  
pp. 6146-6152 ◽  
Author(s):  
Fabien Pascale ◽  
Claudio M. Zicovich-Wilson ◽  
Roberto Orlando ◽  
Carla Roetti ◽  
Piero Ugliengo ◽  
...  
Keyword(s):  
Ab Initio ◽  
Vibration Frequencies ◽  
Ab Initio Study ◽  
Crystal Code

The Vibrational Spectrum of α-AlOOH Diaspore:  An Ab Initio Study with the CRYSTAL Code

2007 ◽  
Vol 111 (31) ◽  
pp. 9337-9346 ◽  
Author(s):  
R. Demichelis ◽  
Y. Noel ◽  
B. Civalleri ◽  
C. Roetti ◽  
M. Ferrero ◽  
...  
Keyword(s):  
Vibrational Spectrum ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Crystal Code

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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