Química Física

1989

1. A p-version finite-element approach for atomic hartree-fock calculations

   Chemical Physics Letters, Vol. 163, Núm. 2-3, pp. 198-201

2. A study of the molecular structure of cocaine using molecular mechanics and NMR

   Journal of Molecular Structure, Vol. 195, Núm. C, pp. 325-333

3. A theoretical study of protonation of triatomic silicon–carbon compounds

   International Journal of Quantum Chemistry, Vol. 36, Núm. 3, pp. 241-253

4. AB initio gradient optimized molecular geometry and conformational analysis of 1,2-propanediol at the 4-21G level

   Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 323-342

5. Ab initio-gradient optimized molecular geometry and conformational analysis of 2-methoxyethanol at the 4-21G level

   Journal of Molecular Structure: THEOCHEM, Vol. 188, Núm. 1-2, pp. 95-104

6. An ab initio gradient study of trimethylhydrazine

   Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 311-322

7. Conformational analysis of polyfunctional amino compounds by molecular mechanics. Part II. 1,2-Ethanediamine, 1,3-propanediamine and 1,4-diazacyclohexanes

   Journal of Molecular Structure, Vol. 193, Núm. C, pp. 263-277

8. Conformational analysis of polyfunctional amino compounds by molecular mechanics. Part III. 1,3,5-Triazacyclohexanes, 2,5,7,10-tetrazabicyclo[4.4.0]-decanes and 1,3,5,7-tetrazabicyclo[3.3.1]nonanes

   Journal of Molecular Structure, Vol. 195, Núm. C, pp. 89-101

9. Conformational analysis of vitamin D3 derivatives by molecular mechanics. Part II. 1α,25-dihydroxyvitamin D3 and analogues

   Journal of Molecular Structure, Vol. 213, Núm. C, pp. 297-307

10. Estudio conformacional y mecánica molecular de compuestos con pares solitarios: aminas, poliaminas, hidracinas y peróxidos

    Santiago de Compostela : Servicio de Publicacións e Intercambio Científico da Universidade de Santiago de Compostela, 1989

11. Influence of the Ionic Strength on the Ionization of Amino Acids

    Journal of Chemical and Engineering Data, Vol. 34, Núm. 1, pp. 35-37

12. Molecular mechanics of peroxides. II. Cyclic compounds

    Journal of Computational Chemistry, Vol. 10, Núm. 7, pp. 911-920

13. Multiple solutions of unrestricted Hartree‐Fock equations: The SNH+ radical as an example

    Journal of Computational Chemistry, Vol. 10, Núm. 3, pp. 295-301

14. Observations of transient temporal dissipative structures in microemulsions

    Journal of Non-Equilibrium Thermodynamics, Vol. 14, Núm. 3, pp. 287-292

15. Solution of atomic Hartree-Fock equations with the P version of the finite element method

    The Journal of Chemical Physics, Vol. 91, Núm. 11, pp. 7030-7038

16. Study of the geometric trends and rotational constants of 1-fluoro-2-propanol and 2-fluoropropanol by Ab Initio calculations

    Tetrahedron Computer Methodology, Vol. 2, Núm. 2, pp. 85-92

17. The (SiNH2)+ isomers as intermediates in the interstellar production of SiNH: An ab initio study

    Journal of Molecular Structure: THEOCHEM, Vol. 183, Núm. 1-2, pp. 17-28