Rotational Isomerism and the Vibrational Spectrum ofSym‐Dideuterodibromoethane

1952 ◽  
Vol 20 (8) ◽  
pp. 1227-1231 ◽  
Author(s):  
H. J. Bernstein ◽  
A. D. E. Pullin ◽  
B. S. Rabinovitch ◽  
N. R. Larson
Keyword(s):  
Vibrational Spectrum ◽  
Rotational Isomerism

Rotational isomerism and calculation of the vibrational spectrum of methyl vinyl selenide

1987 ◽  
Vol 36 (6) ◽  
pp. 1181-1184
Author(s):  
A. N. Surushkin ◽  
L. M. Sinegovskaya ◽  
Yu. L. Frolov ◽  
N. K. Gursarova ◽  
V. A. Potapov ◽  
...  
Keyword(s):  
Vibrational Spectrum ◽  
Rotational Isomerism ◽  
Methyl Vinyl

Rotational Isomerism and the Vibrational Spectrum of 1,2‐Dibromoethane

1950 ◽  
Vol 18 (12) ◽  
pp. 1642-1652 ◽  
Author(s):  
John T. Neu ◽  
William D. Gwinn
Keyword(s):  
Vibrational Spectrum ◽  
Rotational Isomerism

Rotational isomerism and the vibrational spectrum of 3-butenenitrile

1969 ◽  
Vol 4 (2-4) ◽  
pp. 255-274 ◽  
Author(s):  
G.H. Griffith ◽  
L.A. Harrah ◽  
J.W. Clark ◽  
J.R. Durig
Keyword(s):  
Vibrational Spectrum ◽  
Rotational Isomerism

Vibrational spectrum of diiodoacétylène

1949 ◽  
Vol 46 ◽  
pp. 108-114 ◽  
Author(s):  
Forrest F. Cleveland ◽  
Arnold G. Meister
Keyword(s):  
Vibrational Spectrum

The vibrational spectrum of diamond

1949 ◽  
Vol 46 ◽  
pp. 9-15 ◽  
Author(s):  
D. E. Blackwell ◽  
G. B. B. M. Sutherland
Keyword(s):  
Vibrational Spectrum

Quantum chemical prediction of 2H-pyran vibration spectrum

1990 ◽  
Vol 55 (1) ◽  
pp. 10-20 ◽  
Author(s):  
Stanislav Böhm ◽  
Josef Kuthan
Keyword(s):  
Vibrational Spectrum ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Vibration Spectrum ◽  
Equilibrium Geometry ◽  
Heterocyclic Molecule ◽  
Vibrational Transitions ◽  
Correlation Corrections

Ab initio MO optimalization of the 2H-pyran molecule leads to a defined equilibrium geometry of this so far not identified heterocyclic molecule and to a physical justification of its existence. More advanced nonempirical wavefunctions and temperature corrections indicate that heterocyclic molecule I is energetically less stable than non-cyclic isomers II and III. Wavenumbers of fundamental vibrational transitions of heterocycle I and also known (2E)-2,4-pentadienal (IIIb were calculated using 3-21 G wavefunctions. The vibrational spectrum of compound I is predicted on the basis of correlation corrections.

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