Artigos (26) 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. Acetylated mycotoxins from Fusarium graminearum

    Phytochemistry, Vol. 28, Núm. 1, pp. 83-85

  7. Alkaloids of Sarcocapnos crassifolia subsp. speciosa

    Phytochemistry, Vol. 28, Núm. 1, pp. 251-257

  8. An ab initio gradient study of trimethylhydrazine

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

  9. Cadmium coordination chemistry related to chelate therapy

    Inorganica Chimica Acta, Vol. 158, Núm. 1, pp. 119-126

  10. 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

  11. 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

  12. 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

  13. Determination of chromium in steel by atomic absorption spectrometry using a direct chelate volatilisation method

    Journal of Analytical Atomic Spectrometry, Vol. 4, Núm. 1, pp. 105-107

  14. Molecular mechanics of peroxides. II. Cyclic compounds

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

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

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

  16. Observations of transient temporal dissipative structures in microemulsions

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

  17. On the Thermal Behavior of Schiff Bases of Retinal and Its Analogues: 1,2-Dihydropyridine Formation via Six-π-Electron Electrocyclization of 13-Cis Isomers

    Journal of the American Chemical Society, Vol. 111, Núm. 11, pp. 4051-4063

  18. Phenanthrylalkanoic Acids, III: Syntheses and Biological Activities of 4‐Phenanthryl Derivatives

    Archiv der Pharmazie, Vol. 322, Núm. 5, pp. 281-284

  19. Pyridazine Derivatives, VII. Synthesis and Hypotensive Activity of 3‐Hydrazinocycloalkyl[1,2‐c]pyridazines and their Derivatives

    Archiv der Pharmazie, Vol. 322, Núm. 6, pp. 331-336

  20. 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