Study of the Thymine Molecule: Equilibrium Structure from Joint Analysis of Gas-Phase Electron Diffraction and Microwave Data and Assignment of Vibrational Spectra Using Results of Ab initio Calculations

2008 ◽  
Vol 112 (33) ◽  
pp. 7662-7670 ◽  
Author(s):  
Natalja Vogt ◽  
Leonid S. Khaikin ◽  
Olga E. Grikina ◽  
Anatolii N. Rykov ◽  
Jürgen Vogt
Keyword(s):  
Electron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Vibrational Spectra ◽  
Equilibrium Structure ◽  
Joint Analysis ◽  
Gas Phase Electron Diffraction ◽  
Microwave Data

Equilibrium molecular structure and spectra of 6-methyl-1,5-diazabicyclo[3.1.0]hexane: joint analysis of gas phase electron diffraction, quantum chemistry, and spectroscopic data

2020 ◽  
Vol 22 (39) ◽  
pp. 22477-22492
Author(s):  
Leonid S. Khaikin ◽  
Georgiy G. Ageev ◽  
Anatoliy N. Rykov ◽  
Olga E. Grikina ◽  
Igor F. Shishkov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Quantum Chemistry ◽  
Gas Phase ◽  
Vibrational Spectra ◽  
Spectroscopic Data ◽  
Joint Analysis ◽  
Equilibrium Molecular Structure ◽  
First Time ◽  
Gas Phase Electron Diffraction

For the first time, the molecular structure of 6-methyl-1,5-diazabicyclo[3.1.0]hexane was determined and its NMR and vibrational spectra were studied.

The structures of higher boron halides B8X12(X = F, Cl, Br and I) by gas-phase electron diffraction and ab initio calculations

2005 ◽  
pp. 607 ◽  
Author(s):  
Peter L. Timms ◽  
Nicholas C. Norman ◽  
Jennifer A. J. Pardoe ◽  
Iain D. Mackie ◽  
Sarah L. Hinchley ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Boron Halides ◽  
Gas Phase Electron Diffraction
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