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Results: 1-11 |
Results: 11
Evidence of a possible cycloaddition channel in the ethene+NO3 reaction
Authors: Cartas-Rosado, R Santoyo, MER Alvarez-Idaboy, JR Vivier-Bunge, A
Citation: R. Cartas-rosado et al., Evidence of a possible cycloaddition channel in the ethene+NO3 reaction, J PHYS CH A, 105(40), 2001, pp. 9222-9230
Theoretical prediction of EPR coupling constants for the determination of the selectivity in the OH addition to toluene
Authors: Uc, VH Garcia-Cruz, I Grand, A Vivier-Bunge, A
Citation: Vh. Uc et al., Theoretical prediction of EPR coupling constants for the determination of the selectivity in the OH addition to toluene, J PHYS CH A, 105(25), 2001, pp. 6226-6231
OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach
Authors: Galano, A Alvarez-Idaboy, JR Montero, LA Vivier-Bunge, A
Citation: A. Galano et al., OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach, J COMPUT CH, 22(11), 2001, pp. 1138-1153
On the importance of prereactive complexes in molecule-radical reactions: Hydrogen abstraction from aldehydes by OH
Authors: Alvarez-Idaboy, JR Mora-Diez, N Boyd, RJ Vivier-Bunge, A
Citation: Jr. Alvarez-idaboy et al., On the importance of prereactive complexes in molecule-radical reactions: Hydrogen abstraction from aldehydes by OH, J AM CHEM S, 123(9), 2001, pp. 2018-2024
New channels in the reaction mechanism of the atmospheric oxidation of toluene
Authors: Uc, VH Garcia-Cruz, I Hernandez-Laguna, A Vivier-Bunge, A
Citation: Vh. Uc et al., New channels in the reaction mechanism of the atmospheric oxidation of toluene, J PHYS CH A, 104(33), 2000, pp. 7847-7855
DFT and MP2 molecular orbital determination of OH-toluene-O-2 isomeric structures in the atmospheric oxidation of toluene
Authors: Garcia-Cruz, I Castro, M Vivier-Bunge, A
Citation: I. Garcia-cruz et al., DFT and MP2 molecular orbital determination of OH-toluene-O-2 isomeric structures in the atmospheric oxidation of toluene, J COMPUT CH, 21(9), 2000, pp. 716-730
A theoretical study of the methyl and aldehyde torsion FIR spectra in symmetric propanal isotopomers
Authors: Smeyers, YG Villa, M Uc, VH Vivier-Bunge, A
Citation: Yg. Smeyers et al., A theoretical study of the methyl and aldehyde torsion FIR spectra in symmetric propanal isotopomers, J MOL SPECT, 201(1), 2000, pp. 62-69
A quantum chemical and classical transition state theory explanation of negative activation energies in OH addition to substituted ethenes
Authors: Alvarez-Idaboy, JR Mora-Diez, N Vivier-Bunge, A
Citation: Jr. Alvarez-idaboy et al., A quantum chemical and classical transition state theory explanation of negative activation energies in OH addition to substituted ethenes, J AM CHEM S, 122(15), 2000, pp. 3715-3720
Mechanism of the OH - Propene-O-2 reaction: An ab initio study
Authors: Diaz-Acosta, I Alvarez-Idaboy, JR Vivier-Bunge, A
Citation: I. Diaz-acosta et al., Mechanism of the OH - Propene-O-2 reaction: An ab initio study, INT J CH K, 31(1), 1999, pp. 29-36
Ab-initio study of initial atmospheric oxidation reactions of C-3 and C-4 alkanes
Authors: Garcia-Cruz, I Ruiz-Santoyo, ME Alvarez-Idaboy, JR Vivier-Bunge, A
Citation: I. Garcia-cruz et al., Ab-initio study of initial atmospheric oxidation reactions of C-3 and C-4 alkanes, J COMPUT CH, 20(8), 1999, pp. 845-856
Two-dimensional treatment of the aldehydic carbonyl torsion and hydrogen wagging in gas-phase propanal
Authors: Vivier-Bunge, A Uc, VH Smeyers, YG
Citation: A. Vivier-bunge et al., Two-dimensional treatment of the aldehydic carbonyl torsion and hydrogen wagging in gas-phase propanal, INT J QUANT, 72(4), 1999, pp. 411-420
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