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

ChemInform Abstract: An ab initio Study of the Vibrational Spectrum of Bicyclo(1.1.0)but-1(3)-ene

ChemInform ◽  
1987 ◽  
Vol 18 (30) ◽  
Author(s):  
B. A. JUN. HESS ◽  
W. D. ALLEN ◽  
D. MICHALSKA ◽  
L. J. SCHAAD ◽  
H. F. III SCHAEFER
Keyword(s):  
Vibrational Spectrum ◽  
Ab Initio ◽  
Ab Initio Study

An ab initio study on electronic structure and vibrational spectrum of silaborate sandwiches [(η5-C5Me5)M(MeSiB10H10)]−1 (M=Co, Rh and Ir)

2004 ◽  
Vol 683 (1-3) ◽  
pp. 175-181
Author(s):  
Ming-Yu Zhang ◽  
Jian Zhang ◽  
Yan-Bo Sun ◽  
Hong-Xing Zhang ◽  
Chia-Chung Sun ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Vibrational Spectrum ◽  
Ab Initio ◽  
Ab Initio Study

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
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