Química Física

1991

1. Ab initio conformational studies of peroxides. Part 2. A 6-31G* study of various cyclic peroxides

   Journal of Molecular Structure: THEOCHEM, Vol. 235, Núm. 1-2, pp. 25-37

2. Ab initio study of the molecular structure of linear furocoumarins and pyrrolocoumarins

   Journal of Molecular Structure: THEOCHEM, Vol. 231, Núm. C, pp. 163-168

3. Ab initio study of the structure and tautomerism in 7-hydroxy-1-indanone

   Journal of Molecular Structure: THEOCHEM, Vol. 226, Núm. 3-4, pp. 303-306

4. Ab initio study of the structure and tautomerism of internally hydrogen-bonded aromatic carbonyls: Salicylaldehyde and o-hydroxyacetophenone

   Structural Chemistry, Vol. 2, Núm. 6, pp. 575-580

5. An ab initio conformational analysis of isobutylamine and diisopropylamine

   Journal of Molecular Structure: THEOCHEM, Vol. 251, Núm. C, pp. 319-326

6. Erratum: Nitrosation of meldrum's acid (2,2-dimethyl-1,3-dioxane-4,6-dione) and ethyl acetoacetate (Journal of the Chemical Society, Perkin Transactions 2 (1991) (17))

   Journal of the Chemical Society, Perkin Transactions 2

7. Experimental and computational patterns in convection instability of microemulsions

   Naturwissenschaften, Vol. 78, Núm. 5, pp. 224-226

8. How to calculate orbitals as integrals over the exponential parameters: a new type of basis functions

   Chemical Physics Letters, Vol. 182, Núm. 2, pp. 200-206

9. Nitrosation of Meldrum's acid (2,2-dimethyl-1,3-dioxane-4,6-dione) and ethyl acetoacetate

   Journal of the Chemical Society, Perkin Transactions 2, pp. 17-21

10. QUANTUM EFFECTS IN ULTRAFINE ND-FE-B PARTICLES

    SCIENCE AND TECHNOLOGY OF NANOSTRUCTURED MAGNETIC MATERIALS

11. SCF-MO STUDY OF THE INTRAMOLECULAR PROTON-TRANSFER IN 7-HYDROXY-1-INDANONE

    ANALES DE QUIMICA, Vol. 87, Núm. 7, pp. 812-815

12. Solvent-induced mechanistic changes in nitrosation reactions. Part 2. Effect of acetonitrile-water mixtures in the nitrosation of ureas

    Journal of the Chemical Society, Perkin Transactions 2, pp. 2091-2095

13. Theoretical studies of possible processes for interstellar production of phosphorus compounds. Reaction of P+ with methane

    Journal of Physical Chemistry, Vol. 95, Núm. 17, pp. 6553-6557

14. Theoretical studies of possible processes for the interstellar production of phosphorus compounds. Reaction of P+ with ammonia

    Journal of Physical Chemistry, Vol. 95, Núm. 1, pp. 170-175

15. Theoretical study of the interactions of Be and Mg atoms with acetylene

    Journal of Physical Chemistry, Vol. 95, Núm. 23, pp. 9278-9288