Conformational stability and vibrational spectrum of glyoxilic acid oxime predicted from ab initio study

2002 ◽  
Vol 604 (2-3) ◽  
pp. 211-220 ◽  
Author(s):  
N Trendafilova ◽  
G Bauer ◽  
I Georgieva ◽  
V Delchev
Keyword(s):  
Vibrational Spectrum ◽  
Ab Initio ◽  
Conformational Stability ◽  
Ab Initio Study

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

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
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