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Results: 1-10 |
Results: 10
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
A quantum chemical and TST study of the OH hydrogen-abstraction reaction from substituted aldehydes: FCHO and ClCHO
Authors: Mora-Diez, N Alvarez-Idaboy, JR Boyd, RJ
Citation: N. Mora-diez et al., A quantum chemical and TST study of the OH hydrogen-abstraction reaction from substituted aldehydes: FCHO and ClCHO, J PHYS CH A, 105(39), 2001, pp. 9034-9039
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
A study of the nucleophilic attack of the beta-lactamic bond of antibiotics in water solution
Authors: Bounaim, L Smeyers, NJ Gonzalez-Jonte, RH Alvarez-Idaboy, JR Ezzamarty, A Smeyers, YG
Citation: L. Bounaim et al., A study of the nucleophilic attack of the beta-lactamic bond of antibiotics in water solution, J MOL ST-TH, 539, 2001, pp. 233-243
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
Rate constant dependence on the size of aldehydes in the NO3+ aldehydes reaction. An explanation via quantum chemical calculations and CTST
Authors: Alvarez-Idaboy, JR Galano, A Bravo-Perez, G Ruiz, ME
Citation: Jr. Alvarez-idaboy et al., Rate constant dependence on the size of aldehydes in the NO3+ aldehydes reaction. An explanation via quantum chemical calculations and CTST, J AM CHEM S, 123(34), 2001, pp. 8387-8395
Reaction mechanism of the acyl-enzyme formation in beta-lactam hydrolysis by means of quantum chemical modeling
Authors: Alvarez-Idaboy, JR Gonzalez-Jonte, R Hernandez-Laguna, A Smeyers, YG
Citation: Jr. Alvarez-idaboy et al., Reaction mechanism of the acyl-enzyme formation in beta-lactam hydrolysis by means of quantum chemical modeling, J MOL ST-TH, 504, 2000, pp. 13-28
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
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