Departament
QUÍMICA FÍSICA
Publicaciones (55) Publicaciones en las que ha participado algún/a investigador/a
2003
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A new chemical index inspired by biological plastic evolution
Indian Journal of Chemistry - Section A Inorganic, Physical, Theoretical and Analytical Chemistry, Vol. 42, Núm. 6, pp. 1258-1263
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A theoretical analysis of the excited states in 2-benzoylthiophene
Molecular Physics, Vol. 101, Núm. 13, pp. 1977-1982
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A theoretical study of solvent effects on the conformational equilibria of neutral glycine in aqueous solution
Journal of Molecular Structure: THEOCHEM, Vol. 623, Núm. 1-3, pp. 203-210
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Amino acid sequence and homology modeling of obtustatin, a novel non-RGD-containing short disintegrin isolated from the venom of Vipera lebetina obtusa
Protein Science, Vol. 12, Núm. 2, pp. 366-371
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An accurate quartic force field and fundamental frequencies for the ozonide anion: A rare positive anharmonicity for the antisymmetric stretch
Collection of Czechoslovak Chemical Communications, Vol. 68, Núm. 1, pp. 189-201
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Aplicación de un puente LCR en la caracterización de superficies de níquel tratadas voltamperométricamente en medio acido en ausencia y presencia de ión cloruro
Revista de metalurgia, Vol. 39, Núm. 5, pp. 346-356
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Application of molecular topology to the prediction of antifungal activity for a set of dication-substituted carbazoles, furans and benzimidazoles
Journal of Molecular Structure: THEOCHEM, Vol. 624, Núm. 1-3, pp. 97-107
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Azacrownlactams Derived from Biphenyl. Study of Their Conformations, Complexation Ability and Electrochemical Behavior
Journal of Inclusion Phenomena, Vol. 45, Núm. 3-4, pp. 241-249
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Binding of vinyl polymers to anionic model membranes.
Cellular and molecular biology (Noisy-le-Grand, France), Vol. 49, Núm. 6, pp. 991-998
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Catalytic Mechanism of Dihydrofolate Reductase Enzyme. A Combined Quantum-Mechanical/Molecular-Mechanical Characterization of the N5 Protonation Step
Journal of Physical Chemistry B, Vol. 107, Núm. 50, pp. 14036-14041
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Cleaning graffitis on urban buildings by use of second and third harmonic wavelength of a Nd:YAG laser: A comparative study
Applied Surface Science, Vol. 207, Núm. 1-4, pp. 86-99
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Comparative evaluation of the swelling and degrees of cross-linking in three organic gel packings for SEC through some geometric parameters
Journal of Biochemical and Biophysical Methods, Vol. 56, Núm. 1-3, pp. 53-67
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Concerted Motions of the Integrin-binding Loop and the C-terminal Tail of the Non-RGD Disintegrin Obtustatin
Journal of Biological Chemistry, Vol. 278, Núm. 46, pp. 45570-45576
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Conformational equilibrium of chorismate. A QM/MM theoretical study combining statistical simulations and geometry optimisations in gas phase and in aqueous solution
Journal of Molecular Structure: THEOCHEM, Vol. 632, Núm. 1-3, pp. 197-206
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Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene
Journal of Chemical Physics, Vol. 118, Núm. 18, pp. 8216-8222
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Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. I. Di-hydro-pyrrolo-pyrrole isomers
Journal of Chemical Physics, Vol. 119, Núm. 11, pp. 5518-5526
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Discrimination and selection of new potential antibacterial compounds using simple topological descriptors
Journal of Molecular Graphics and Modelling, Vol. 21, Núm. 5, pp. 375-390
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Drugs and Nondrugs: An Effective Discrimination with Topological Methods and Artificial Neural Networks
Journal of Chemical Information and Computer Sciences, Vol. 43, Núm. 5, pp. 1688-1702
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EIS and Ac-electrogravimetry study of PB films in KCl, NaCl, and CsCl aqueous solutions
Journal of Physical Chemistry B, Vol. 107, Núm. 41, pp. 11321-11330
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EQCM and EIS studies of Znaq2+ + 2e- ⇄ Zn0 electrochemical reaction in moderated acid medium
Journal of Electroanalytical Chemistry, Vol. 558, Núm. 1-2, pp. 25-33