Artigos (16) Publicacións nas que participase algún/ha investigador/a

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

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

  11. Molecular mechanics of peroxides. II. Cyclic compounds

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

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

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

  13. Observations of transient temporal dissipative structures in microemulsions

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

  14. 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

  15. 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

  16. 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