Ab initio and DFT calculations on the gas phase elimination kinetics of 2,2-diethoxy-ethylamine and 2,2-diethoxy-N ,N -diethyl-ethylamine

2008 ◽  
Vol 22 (5) ◽  
pp. 367-377 ◽  
Author(s):  
José Ramón Mora ◽  
María Tosta ◽  
Tania Cordova ◽  
Gabriel Chuchani
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination ◽  
Ab Initio And Dft

Ab initio and DFT calculations of benzaldoxime elimination kinetics in the gas phase

2008 ◽  
Vol 108 (10) ◽  
pp. 1735-1741 ◽  
Author(s):  
Jose R. Mora ◽  
Tania Cordova ◽  
Gabriel Chuchani
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Elimination Kinetics ◽  
Ab Initio And Dft

Theoretical study of the mechanisms for the homogenous gas-phase elimination kinetics of some 2-hydroxynitroalkanes

2006 ◽  
Vol 19 (12) ◽  
pp. 836-840 ◽  
Author(s):  
Rafael Añez ◽  
Rodolfo Izquierdo ◽  
Alba Vidal ◽  
Tania Cordova ◽  
Aníbal Sierraalta ◽  
...  
Keyword(s):  
Gas Phase ◽  
Theoretical Study ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination

The molecular structure of using gas-phase electron diffraction and ab initio and DFT calculations

2007 ◽  
Vol 692 (5) ◽  
pp. 1161-1167 ◽  
Author(s):  
Derek A. Wann ◽  
Sarah L. Hinchley ◽  
Heather E. Robertson ◽  
Matthew D. Francis ◽  
John F. Nixon ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Dft Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Gas Phase Electron Diffraction ◽  
Ab Initio And Dft

Gas-phase elimination kinetics of selected aliphatic α,β-unsaturated aldehydes catalyzed by hydrogen chloride

2015 ◽  
Vol 28 (4) ◽  
pp. 261-265 ◽  
Author(s):  
Libia L. Julio ◽  
José R. Mora ◽  
Alexis Maldonado ◽  
Gabriel Chuchani
Keyword(s):  
Gas Phase ◽  
Hydrogen Chloride ◽  
Elimination Kinetics ◽  
Unsaturated Aldehydes ◽  
Kinetics Of ◽  
Phase Elimination

Gas Phase Elimination Kinetics of Methyl Mandelate: Experimental and DFT Studies

2009 ◽  
Vol 113 (44) ◽  
pp. 12157-12162 ◽  
Author(s):  
Alexandra Rotinov ◽  
Luz Escalante ◽  
Beatriz Ramirez ◽  
Desiree Pereira ◽  
Tania Córdova ◽  
...  
Keyword(s):  
Gas Phase ◽  
Dft Studies ◽  
Elimination Kinetics ◽  
Kinetics Of ◽  
Phase Elimination
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