Molecular structure and conformational properties of N-cyclohexylpiperidine as studied by gas-phase electron diffraction, mass spectrometry, IR spectroscopy and quantum chemical calculations

2015 ◽  
Vol 26 (5-6) ◽  
pp. 1501-1512 ◽  
Author(s):  
Sergey A. Shlykov ◽  
Tran D. Phien ◽  
Yan Gao ◽  
Peter M. Weber
Keyword(s):  
Molecular Structure ◽  
Mass Spectrometry ◽  
Electron Diffraction ◽  
Ir Spectroscopy ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Conformational Properties ◽  
Gas Phase Electron Diffraction

Gas-phase structure of 2,2,2-trichloroethyl chloroformate studied by electron diffraction and quantum-chemical calculations

2016 ◽  
Vol 18 (1) ◽  
pp. 393-402 ◽  
Author(s):  
Diego M. Gil ◽  
María E. Tuttolomondo ◽  
Sebastian Blomeyer ◽  
Christian G. Reuter ◽  
Norbert W. Mitzel ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Phase Structure ◽  
Quantum Chemical ◽  
Conformational Properties ◽  
Gas Phase Structure ◽  
Gas Phase Electron Diffraction

The molecular structure and conformational properties of 2,2,2-trichloroethyl chloroformate, ClC(O)OCH2CCl3 were determined experimentally using gas-phase electron diffraction (GED) and theoretically based on quantum-chemical calculations at the MP2 and DFT levels of theory.

Molecular structure of noradrenaline according to gas-phase electron diffraction data and quantum chemical calculations

2019 ◽  
Vol 29 (4) ◽  
pp. 411-413
Author(s):  
Ekaterina P. Altova ◽  
Anatolii N. Rykov ◽  
Maxim A. Abaev ◽  
Ilya I. Marochkin ◽  
Anna L. Vilkova ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical Calculations ◽  
Diffraction Data ◽  
Quantum Chemical ◽  
Electron Diffraction Data ◽  
Gas Phase Electron Diffraction
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