Química Física
Departamento
Universidad Autónoma de Madrid
Madrid, EspañaPublicacións en colaboración con investigadores/as de Universidad Autónoma de Madrid (17)
2023
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Automatic characterization of drug/amino acid interactions by energy decomposition analysis
Theoretical Chemistry Accounts, Vol. 142, Núm. 6
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Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis
Journal of Chemical Information and Modeling, Vol. 63, Núm. 3, pp. 882-897
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Metastable Charged Dimers in Organometallic Species: A Look into Hydrogen Bonding between Metallocene Derivatives
Inorganic chemistry, Vol. 62, Núm. 40, pp. 16523-16537
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MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations
Journal of Computational Chemistry, Vol. 44, Núm. 4, pp. 516-533
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On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis
Membranes, Vol. 13, Núm. 1
2022
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Challenges for optical nanothermometry in biological environments
Chemical Society reviews, Vol. 51, Núm. 11, pp. 4223-4242
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DNA-Templated Ultracompact Optical Antennas for Unidirectional Single-Molecule Emission
Nano letters, Vol. 22, Núm. 15, pp. 6402-6408
2021
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Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis
Physical Chemistry Chemical Physics, Vol. 23, Núm. 36, pp. 20533-20540
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Deciphering the Chemical Basis of Fluorescence of a Selenium-Labeled Uracil Probe when Bound at the Bacterial Ribosomal A-Site
Chemistry - A European Journal, Vol. 27, Núm. 15, pp. 4927-4931
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Mesoporous silica nanoparticles containing silver as novel antimycobacterial agents against Mycobacterium tuberculosis
Colloids and Surfaces B: Biointerfaces, Vol. 197
2019
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Heat generation by branched Au/Pd nanocrystals: Influence of morphology and composition
Nanoscale, Vol. 11, Núm. 41, pp. 19561-19570
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Thermal monitoring during photothermia: Hybrid probes for simultaneous plasmonic heating and near-infrared optical nanothermometry
Theranostics, Vol. 9, Núm. 24, pp. 7298-7312
2015
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Microgels and nanoparticles: Where Micro and Nano Go Hand in Hand
Zeitschrift fur Physikalische Chemie, Vol. 229, Núm. 1-2, pp. 263-282
2014
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Laser heating tunability by off-resonant irradiation of gold nanoparticles
Small, Vol. 10, Núm. 2, pp. 376-384
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Quantum dot thermometry evaluation of geometry dependent heating efficiency in gold nanoparticles
Langmuir, Vol. 30, Núm. 6, pp. 1650-1658
1999
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Layer-by-layer assembly of core-shell magnetite nanoparticles: Effect of silica coating on interparticle interactions and magnetic properties
Advanced Materials, Vol. 11, Núm. 12, pp. 1006-1010
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Stratified thin film materials prepared by the layer-by layer assembly of nanoparticles.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY