Vibrational ? Rotational interaction and vibrational transitions in CH4 during collisions

1982 ◽  
Vol 17 (5) ◽  
pp. 517-520
Author(s):  
P. L. Bakhrakh ◽  
S. Ya. Umanskii
Keyword(s):  
Vibrational Transitions ◽  
Rotational Interaction

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.

scholarly journals Low-energy electron impact dissociative recombination and vibrational transitions of N2+

2021 ◽  
Vol 129 (5) ◽  
pp. 053303
Author(s):  
A. Abdoulanziz ◽  
C. Argentin ◽  
V. Laporta ◽  
K. Chakrabarti ◽  
A. Bultel ◽  
...  
Keyword(s):  
Electron Impact ◽  
Dissociative Recombination ◽  
Low Energy ◽  
Energy Electron ◽  
Low Energy Electron ◽  
Vibrational Transitions

Improved calculations of the lowest vibrational transitions inHeH+

2007 ◽  
Vol 76 (2) ◽  
Author(s):  
Sergiy Bubin ◽  
Monika Stanke ◽  
Dariusz Kȩdziera ◽  
Ludwik Adamowicz
Keyword(s):  
Vibrational Transitions
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