1. Montero, L.A., Alfonso, L., Alvarez, J.R., "From PPP-MO Theory to All Valence Electron Calculations of Ionic and Excited States in Organic Molecules", Int. J. Quantum Chem. 1990, 37, 465.

 2. Alvarez, J.R., Montero, L., Martínez, R., "Theoretical Approach to Cationic Polymerization of Alkenyl Furans", Makrom. Chem. 19902:281, 191.

3. Alvarez Idaboy, J.R., Cuza, D., Montero, L.A., Isoba, R. "Theoretical Models of Electrophilic Substitutions in Pentagonal Unsaturated Heterocycles. I. Substituent Effects by MNDO", J. Mol. Struct. (THEOCHEM) 1990, 209, 361. Abstract

 4. Montero, L.A., Medina, S.A., Paneque, A., Alvarez Idaboy, J.R., Mastryukov, V.S., "On the correlation between ionization potentials and bond angles in heterocyclic compounds", J. Mol. Sruct. 1991, 249, 305. Abstract

5. Montero, L.A., Alvarez Idaboy, J.R., Medina, S.A., "Approximate Methods for Polyatomic Systems", Computational Chemistry: Structure, Interactions and Reactivity, ed. S. Fraga, Elsevier Pub., Amsterdam, 1992 BC.

6. Mastryukov, V.S, Montero, L.A., Alvarez Idaboy, J.R., "Structure of Molecules: Experiments and Theory", Trends in Applied Theoretical Chemistry, L.A. Montero, Y.G. Smeyers, eds, Kluwer Pub. Amsterdam, 1992, BC.

7. Alvarez Idaboy, J.R., Montero, L.A., Martínez, R., "An Application of Theoretical Models to Understand Chemical Reactions: The Electrophilic Substitution in Furan", Trends in Applied Theoretical Chemistry, L.A. Montero, Y.G. Smeyers, eds., Kluwer Pub., Amsterdam, 1992, BC.

8. Alvarez Idaboy, J.R., Montero, L.A., "Theoretical modeling of electrophilic substitution mechanism in furan", J. Molec. Struct. (THEOCHEM), 253, 243, (1992), Abstract

9. J.R. Alvarez-Idaboy, A. Galano, L.A. Montero, R. Martínez, “Theoretical Approach to Cationic Polymerization of Alkenylfurans. II. Ab initio and Semiempirical Study of Relevant Steps in the Reaction Mechanism”, J. Polym. Science, Part A: Polymer Chemistry, 30, 2497-2502 (1992). Abstract , PDF  

10. Paz, J.A., Vega, R., Rieumont, J., Montero, L.A., Alvarez, J.R., "The site of radical attack at the furan ring from MNDO calculations", Makromol. Chem., Theory Simul. 1992, 1, 99.

11. Alvarez-Idaboy J.R., Erickson L.A., Fanstrom T and Lunell S. "Theoretical Investigation of the Ethene-Ethene Radical Cation Addition reaction.” J. Phys. Chem. 1993, 97, 12737.  First Page, PDF

12. Alvarez-Idaboy J.R., Erickson L.A. and Lunell S. "Theoretical study of reactions of 1-Butene radical cation in frozen halocarbon matrices". J. Phys. Chem. 1993, 97, 12742.  First Page, PDF

13. Alvarez-Idaboy J.R., Matsson O., Bergson G. and Lunell S. ,"Theoretical study of proton rearrangement in Indene like systems", Acta Chemica Scandinavica 1994, 48, 423.

14. Montero L. A., Gonzalez-Jonte R. Diaz L.A., Alvarez-Idaboy J.R “Theoretical model of Furan and 2-Furancarboxaldehyde. The Molecular Structure and Vibrational Spectra, Including Isotopic Effects. J. Phys. Chem. 1994, 98 ,5607. First Page, PDF

15. José A. Paz, Jacques Rieumont, Luis A. Montero and J. Raúl Alvarez “MNDO calculations on the reactivity of furan compounds towards polymeric radicals” Polymer 1995, 36, 5011. Abstract

16. Salhi N., Alvarez-Idaboy J.R., and Lunell S. "Theoretical study of the role of the matrix in allylradical formation from Propene radical cation." Acta Chemica Scandinavica 1997, 51, 242.

17. N.Salhi-Benachenhou, J.R. Alvarez-Idaboy, S. Lunell, L. A. Eriksson “Formation of 2-hexene by cationic dimerization of propene: an ab initio and density functional theory study" Theor. Chem. Acc. 1997, 97, 277. Abstract, PDF

18. J. Raúl Alvarez Idaboy, Irina Díaz Acosta, Annik Vivier Bunge “Energetics of the mechanism of the OH-propene reaction at low pressures in an inert atmosphere”, J. Comput. Chem. 1998, 19, 811. Abstract, PDF

19. J. Raúl Alvarez Idaboy, Eugene Kryachko, “Nonrigidity of Molecules in Solvent and Its impact on Infrared spectrum: Substituted Phenols and Trimetylamine N-Oxide. I.” Journal of Molecular Structure (THEOCHEM) 1998, 443, 263. Abstract

20. Irina Diaz-Acosta, J. Raúl Alvarez-Idaboy and Annik Vivier-Bunge "Mechanism of the OH-Propene-O2 Reaction: An Ab-initio Study". Int. J. Chem. Kinetics 1999, 31, 29. Abstract, PDF

21. Isidoro Garcia-Cruz M.E. Ruiz-Santoyo, J. Raúl Alvarez-Idaboy and Annik Vivier-Bunge. "Ab-Initio Study of Initial Atmospheric Oxidation Reactions of C3 and C4 Alkanes"  J. Comput. Chem 1999, 20, 845. Abstract, PDF

 

 

 

 

 

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