Departament
QUÍMICA FÍSICA
Publicaciones (45) Publicaciones en las que ha participado algún/a investigador/a
1997
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(1R*,3R*,4S*)-4-(tert-butyldiphenylsilyloxy)-6,7- dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
Acta Crystallographica Section C: Crystal Structure Communications, Vol. 53, Núm. 3, pp. 355-358
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A fluorescence spectroscopy study of the interaction of monocationic quinine with phospholipid vesicles effect of the ionic strength and lipid composition
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 53, Núm. 12, pp. 2219-2228
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A novel RNA-binding motif in influenza A virus non-structural protein 1
Nature Structural Biology, Vol. 4, Núm. 11, pp. 891-895
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A numerical approach to the voltammograms of the reduction of Prussian Blue films on ITO electrodes
Electrochimica Acta, Vol. 42, Núm. 10, pp. 1473-1480
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A theoretical study of the Favorskii rearrangement. Calculation of gas-phase reaction paths and solvation effects on the molecular mechanism for the transposition of the α-chlorocyclobutanone
Journal of the American Chemical Society, Vol. 119, Núm. 8, pp. 1941-1947
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Ab initio calculations on neutral and alkaline hydrolyses of β-Lactam antibiotics. A theoretical study including solvent effects
Journal of Physical Chemistry B, Vol. 101, Núm. 18, pp. 3581-3588
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Ab initio study on the low-lying excited states of retinal
Journal of Chemical Physics, Vol. 106, Núm. 3, pp. 1112-1122
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Ab-initio study of structural and optical properties of nonstoichiometric alkalimetal- oxides
Zeitschrift fur Physik D-Atoms Molecules and Clusters, Vol. 40, Núm. 1, pp. 445-447
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Ab-initio study of structural and optical properties of nonstoichiometric alkalimetal- oxides
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS
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An ab initio analysis of the electronic structure and harmonic frequencies of nickel porphyrin
Theoretical Chemistry Accounts, Vol. 97, Núm. 1-4, pp. 81-87
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Assessment for the mean value total dressing method: Comparison with coupled cluster including triples methods for BF, NO+, CN+, C2, BeO, NH3, CH2, H2O, BH, HF, SiH2, Li2, LiNa, LiBe+, NeH+, and O3
Journal of Chemical Physics, Vol. 107, Núm. 16, pp. 6306-6320
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Binding of basic amphipathic peptides to neutral phospholipid membranes: a thermodynamic study applied to dansyl-labeled melittin and substance P analogues
Biopolymers - Nucleic Acid Sciences Section, Vol. 42, Núm. 2, pp. 169-181
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Classical QSAR: Pharmacology. Molecular connectivity to find β-blockers with low toxicity
Quantitative Structure-Activity Relationships
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Comparative Study on the Determination of Cephalexin in its Dosage Forms by Spectrophotometry and HPLC with UV-vis Detection
Mikrochimica Acta, Vol. 126, Núm. 3--4, pp. 207-215
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Effects of the Catalyst Concentration on the Cure Behavior of a Dicyanate Ester Prepolymer
Journal of Polymer Materials, Vol. 14, Núm. 4, pp. 317-323
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Geometric structure and torsional potential of biisothianaphthene. A comparative DFT and ab initio study
Journal of the American Chemical Society, Vol. 119, Núm. 6, pp. 1360-1369
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High-resolution solution NMR structure of the Z domain of staphlococcal protein A
Journal of Molecular Biology, Vol. 272, Núm. 4, pp. 573-590
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Homology modeling using simulated annealing of restrained molecular dynamics and conformational search calculations with CONGEN: Application in predicting the three-dimensional structure of murine homeodomain Msx-1
Protein Science, Vol. 6, Núm. 5, pp. 956-970
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Interaction of quinine with negatively charged lipid vesicles studied by fluorescence spectroscopy Influence of the pH
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 53, Núm. 3 PART A, pp. 421-431
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Ionomers in solution: 1. Viscometric and chromatographic studies in cononsolvent and cosolvent mixtures
Polymer, Vol. 38, Núm. 12, pp. 3011-3016