scholarly journals Signature of Coordination Defects in the Vibrational Spectrum of Amorphous Chalcogenides

2019 ◽  
Vol 6 ◽  
Author(s):  
Matthieu Micoulaut ◽  
Punit Boolchand
Keyword(s):  
Vibrational Spectrum ◽  
Amorphous Chalcogenides

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.

Vibrational spectrum and molecular structure of [Cu(NH3)5](ClO4)2

2003 ◽  
Vol 381 (3-4) ◽  
pp. 329-334 ◽  
Author(s):  
A. Migdał-Mikuli ◽  
E. Mikuli ◽  
M. Barańska ◽  
Ł. Hetmańczyk
Keyword(s):  
Molecular Structure ◽  
Vibrational Spectrum

Vibrational Spectrum of Gold

1961 ◽  
Vol 122 (1) ◽  
pp. 13-14 ◽  
Author(s):  
S. K. Joshi ◽  
M. P. Hemkar
Keyword(s):  
Vibrational Spectrum
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