Departament
QUÍMICA FÍSICA
Publicaciones (120) Publicaciones en las que ha participado algún/a investigador/a
2015
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A Combined Experimental and Theoretical Study on the Formation of Ag Filaments on β-Ag2MoO4 Induced by Electron Irradiation
Particle and Particle Systems Characterization, Vol. 32, Núm. 6, pp. 646-651
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A columnar liquid crystal with permanent polar order
Journal of Materials Chemistry C, Vol. 3, Núm. 5, pp. 985-989
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A computational study of the phosphoryl transfer reaction between ATP and Dha in aqueous solution
Organic and Biomolecular Chemistry, Vol. 13, Núm. 40, pp. 10179-10190
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A joint experimental and theoretical study on the electronic structure and photoluminescence properties of Al2(WO4)3 powders
Journal of Molecular Structure, Vol. 1081, pp. 381-388
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A new approach for crystallization of copper(II) oxide hollow nanostructures with superior catalytic and magnetic response
Nanoscale, Vol. 7, Núm. 45, pp. 19250-19258
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A new polyphosphate calcium material with morphogenetic activity
Materials Letters, Vol. 148, pp. 163-166
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A surface hopping algorithm for nonadiabatic minimum energy path calculations
Journal of Computational Chemistry, Vol. 36, Núm. 5, pp. 312-320
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Accurate treatment of large supramolecular complexes by double-hybrid density functionals coupled with nonlocal van der waals corrections
Journal of Chemical Theory and Computation, Vol. 11, Núm. 3, pp. 932-939
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Amino-Acid-Based chiral nanoparticles for enantioselective crystallization
Advanced Materials, Vol. 27, Núm. 17, pp. 2728-2732
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Analysis of the structural quality of the CASD-NMR 2013 entries
Journal of Biomolecular NMR, Vol. 62, Núm. 4, pp. 527-540
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Aplicación de topología molecular a la predicción de la actividad frente a Trypanosoma brucei rhodesiense de compuestos bicíclicos derivados de la 4-metilpiperazina
Nereis: revista iberoamericana interdisciplinar de métodos, modelización y simulación, Núm. 7, pp. 27-38
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Are there dynamical effects in enzyme catalysis? Some thoughts concerning the enzymatic chemical step
Archives of Biochemistry and Biophysics, Vol. 582, pp. 42-55
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Basic Concepts and Applications of Molecular Topology to Drug Design
Advances in Mathematical Chemistry and Applications: Revised Edition (Elsevier Inc.), pp. 161-195
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Basic Concepts and Applications of Molecular Topology to Drug Design
ADVANCES IN MATHEMATICAL CHEMISTRY AND APPLICATIONS, VOL 1 (BENTHAM SCIENCE PUBL), pp. 161-195
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Basic Concepts and Applications of Molecular Topology to Drug Design
Advances in Mathematical Chemistry and Applications: Volume 1 (Elsevier), pp. 161-195
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Bent-core liquid crystalline cyanostilbenes: Fluorescence switching and thermochromism
Physical Chemistry Chemical Physics, Vol. 17, Núm. 17, pp. 11715-11724
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Biomimetic vaterite formation at surfaces structurally templated by oligo(glutamic acid) peptides
Chemical Communications, Vol. 51, Núm. 88, pp. 15902-15905
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Blue-emitting pyrene-based aggregates
Chemical Communications, Vol. 51, Núm. 50, pp. 10142-10145
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Bond-based bilinear indices for computational discovery of novel trypanosomicidal drug-like compounds through virtual screening
European Journal of Medicinal Chemistry, Vol. 96, pp. 238-244
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Ceria/Polymer Hybrid Nanoparticles as Efficient Catalysts for the Hydration of Nitriles to Amides
ACS Applied Materials and Interfaces, Vol. 7, Núm. 20, pp. 10727-10733