Tautomeric and conformational properties of dibenzoylmethane, C6H5–C(O)–CH2–C(O)–C6H5: gas-phase electron diffraction and quantum chemical study

2010 ◽  
Vol 22 (2) ◽  
pp. 269-277 ◽  
Author(s):  
Natalya V. Belova ◽  
Heinz Oberhammer ◽  
Georgiy V. Girichev
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Conformational Properties ◽  
Gas Phase Electron Diffraction

An alternative gas-phase electron diffraction and quantum chemical study of nitroethane

2010 ◽  
Vol 978 (1-3) ◽  
pp. 41-47 ◽  
Author(s):  
Igor F. Shishkov ◽  
Victor A. Sipachev ◽  
Piotr I. Dem’yanov ◽  
Olga V. Dorofeeva ◽  
Natalja Vogt ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Gas Phase ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Gas Phase Electron Diffraction

Tautomeric and Conformational Properties of Acetoacetamide:  Electron Diffraction and Quantum Chemical Study

2006 ◽  
Vol 71 (14) ◽  
pp. 5298-5302 ◽  
Author(s):  
Natalya V. Belova ◽  
Georgiy V. Girichev ◽  
Sergey A. Shlykov ◽  
Heinz Oberhammer
Keyword(s):  
Electron Diffraction ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Conformational Properties

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.

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