Centro
Facultade de Química
Artigos (27) Publicacións nas que participase algún/ha investigador/a
1989
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A p-version finite-element approach for atomic hartree-fock calculations
Chemical Physics Letters, Vol. 163, Núm. 2-3, pp. 198-201
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A study of the molecular structure of cocaine using molecular mechanics and NMR
Journal of Molecular Structure, Vol. 195, Núm. C, pp. 325-333
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A theoretical study of protonation of triatomic silicon–carbon compounds
International Journal of Quantum Chemistry, Vol. 36, Núm. 3, pp. 241-253
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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
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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
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Acetylated mycotoxins from Fusarium graminearum
Phytochemistry, Vol. 28, Núm. 1, pp. 83-85
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Alkaloids of Sarcocapnos crassifolia subsp. speciosa
Phytochemistry, Vol. 28, Núm. 1, pp. 251-257
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An ab initio gradient study of trimethylhydrazine
Journal of Molecular Structure: THEOCHEM, Vol. 184, Núm. 3-4, pp. 311-322
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Cadmium coordination chemistry related to chelate therapy
Inorganica Chimica Acta, Vol. 158, Núm. 1, pp. 119-126
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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
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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
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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
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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
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Estudio de la acción de agentes halogenantes sobre la 3,4-dihidro-1(2H) fenantrenona
Anales de química. Serie C, Química orgánica y bioquímica, Vol. 85, Núm. 1, pp. 102-104
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Molecular mechanics of peroxides. II. Cyclic compounds
Journal of Computational Chemistry, Vol. 10, Núm. 7, pp. 911-920
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Multiple solutions of unrestricted Hartree‐Fock equations: The SNH+ radical as an example
Journal of Computational Chemistry, Vol. 10, Núm. 3, pp. 295-301
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Observations of transient temporal dissipative structures in microemulsions
Journal of Non-Equilibrium Thermodynamics, Vol. 14, Núm. 3, pp. 287-292
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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
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Phenanthrylalkanoic Acids, III: Syntheses and Biological Activities of 4‐Phenanthryl Derivatives
Archiv der Pharmazie, Vol. 322, Núm. 5, pp. 281-284
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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