The infrared spectrum of trimethylenemethane. Predictions of in‐plane vibrational frequencies from correlated wave functions

1990 ◽  
Vol 92 (2) ◽  
pp. 1174-1179 ◽  
Author(s):  
Charles P. Blahous ◽  
Yaoming Xie ◽  
Henry F. Schaefer
Keyword(s):  
Infrared Spectrum ◽  
Vibrational Frequencies ◽  
Wave Functions

scholarly journals Theoretical investigation of the infrared spectrum of small polyynes

2018 ◽  
Vol 20 (8) ◽  
pp. 5501-5508 ◽  
Author(s):  
Kirstin D. Doney ◽  
Dongfeng Zhao ◽  
John F. Stanton ◽  
Harold Linnartz
Keyword(s):  
Infrared Spectrum ◽  
Theoretical Investigation ◽  
Vibrational Frequencies

The ro-vibrational parameters of small polyynes are calculated at the CCSD(T)/ANO1 level, including the first anharmonic vibrational frequencies of tetraacetylene.

Fourier transform infrared spectrum of 13C32S2 in the 3v3 band region

1996 ◽  
Vol 89 (4) ◽  
pp. 1145-1155
Author(s):  
JACQUES WALRAND ◽  
GHISLAIN BLANQUET ◽  
JEAN-FRANCOIS BLAVIER ◽  
HARALD BREDOHL ◽  
IWAN DUBOIS
Keyword(s):  
Fourier Transform ◽  
Infrared Spectrum ◽  
Fourier Transform Infrared ◽  
Band Region

The far infrared spectrum of H2O2 observed and calculated rotational levels of the torsional states : (n, τ) = (0, 1), (0, 3) and (1, 1)

1988 ◽  
Vol 49 (11) ◽  
pp. 1901-1910 ◽  
Author(s):  
F. Masset ◽  
L. Lechuga-Fossat ◽  
J.-M. Flaud ◽  
C. Camy-Peyret ◽  
J.W.C. Johns ◽  
...  
Keyword(s):  
Infrared Spectrum ◽  
Far Infrared
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