Departament
QUÍMICA FÍSICA
Publicaciones (78) Publicaciones en las que ha participado algún/a investigador/a
2011
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(Co-)solvent selection for single-wall carbon nanotubes: Best solvents, acids, superacids and guest–host inclusion complexes
Nanoscale, Vol. 3, Núm. 6, pp. 2494-2510
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A comparative study of nonlinear machine learning for the "in silico" depiction of tyrosinase inhibitory activity from molecular structure
Molecular Informatics, Vol. 30, Núm. 6-7, pp. 527-537
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A fully conjugated TTF-π-TCAQ system: Synthesis, structure, and electronic properties
Chemistry - A European Journal, Vol. 17, Núm. 10, pp. 2957-2964
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A joint experimental and theoretical study on the nanomorphology of CaWO4 crystals
Journal of Physical Chemistry C, Vol. 115, Núm. 41, pp. 20113-20119
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A simple model for barrier frequencies for enzymatic reactions
ChemPhysChem, Vol. 12, Núm. 1, pp. 184-190
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A theoretical study of semiclassic models: Toward a quantum mechanical representation of chemical processes
International Journal of Quantum Chemistry, Vol. 111, Núm. 2, pp. 263-271
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A theoretical study on the pressure-induced phase transitions in the inverse spinel structure Zn2SnO4
Journal of Physical Chemistry C, Vol. 115, Núm. 15, pp. 7740-7746
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Ab initio modeling of donor-acceptor interactions and charge-transfer excitations in molecular complexes: The case of terthiophene- tetracyanoquinodimethane
Journal of Chemical Theory and Computation, Vol. 7, Núm. 7, pp. 2068-2077
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Application of molecular topology for the prediction of reaction yields and anti-inflammatory activity of heterocyclic amidine derivatives
International Journal of Molecular Sciences, Vol. 12, Núm. 2, pp. 1281-1292
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Assisted-assembly of coordination materials into advanced nanoarchitectures by Dip Pen nanolithography
Chemical Communications, Vol. 47, Núm. 18, pp. 5175-5177
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Atom-based 3D-chiral quadratic indices.: Part 3: prediction of the binding affinity of the stereoisomers of fenoterol to the B2 adrenergic receptor.
Afinidad: Revista de química teórica y aplicada, Vol. 68, Núm. 555, pp. 334-340
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Bond-extended stochastic and nonstochastic bilinear indices. I. QSPR/QSAR applications to the description of properties/activities of small-medium size organic compounds
International Journal of Quantum Chemistry, Vol. 111, Núm. 1, pp. 8-34
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Chemiluminescence and fluorescence states of a small model for coelenteramide and Cypridina oxyluciferin: A CASSCF/CASPT2 study
Journal of Chemical Theory and Computation, Vol. 7, Núm. 12, pp. 4060-4069
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Chemistry explained by topology: An alternative approach
Combinatorial Chemistry and High Throughput Screening, Vol. 14, Núm. 4, pp. 279-283
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Compatibility between 3T 1H SV-MRS data and automatic brain tumour diagnosis support systems based on databases of 1.5T 1H SV-MRS spectra
Magnetic Resonance Materials in Physics, Biology and Medicine, Vol. 24, Núm. 1, pp. 35-42
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Complementariedad de la espectroscopía univóxel y la imágen de espectroscopía multivóxel obtenidas mediante bobina de cuadratura para la detección del carcinoma de próstata
Radiologia, Vol. 53, Núm. 1, pp. 47-55
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Cooperative supramolecular polymerization and amplification of chirality in C3-symmetrical OPE-based trisamides
Chemistry - A European Journal, Vol. 17, Núm. 28, pp. 7755-7759
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Copper(i) complexes for sustainable light-emitting electrochemical cells
Journal of Materials Chemistry, Vol. 21, Núm. 40, pp. 16108-16118
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Diferrocenyl oligothiophene wires: Raman and quantum chemical study of valence-trapped cations
Journal of Chemical Physics, Vol. 135, Núm. 23
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Difracción Policristalina en la Caracterización de Gemas y sus Inclusiones
Macla: revista de la Sociedad Española de Mineralogía, Núm. 15, pp. 153-154