Departament
QUÍMICA FÍSICA
Publicaciones (32) Publicaciones en las que ha participado algún/a investigador/a
2024
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4-Thiaproline accelerates the slow folding phase of proteins containing cis prolines in the native state by two orders of magnitude
Protein Science, Vol. 33, Núm. 2
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A First Proposal on the Nitrobenzene Photorelease Mechanism of NO2 and Its Relation to NO Formation through a Roaming Mechanism
Journal of Physical Chemistry Letters, Vol. 15, Núm. 8, pp. 2216-2221
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A New Hyaluronic Emulgel of Hesperetin for Topical Application—An In Vitro Evaluation
Journal of Functional Biomaterials, Vol. 15, Núm. 4
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Activation and friction in enzymatic loop opening and closing dynamics
Nature Communications, Vol. 15, Núm. 1
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Anomalous Pressure Response of Temperature-Induced Spin Transition and a Pressure-Induced Spin Transition in Two-Dimensional Hofmann Coordination Polymers
Inorganic Chemistry, Vol. 63, Núm. 2, pp. 1214-1224
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Decreasing the environmental impact of carbon fibre production via microwave carbonisation enabled by self-assembled nanostructured coatings
Advanced Composites and Hybrid Materials, Vol. 7, Núm. 2
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Effect of chain extenders on the thermal and thermodegradation behavior of carbonatodiol thermoplastic polyurethane
Polymer Bulletin, Vol. 81, Núm. 3, pp. 2267-2286
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Electrostatics as a Guiding Principle in Understanding and Designing Enzymes
Journal of Chemical Theory and Computation, Vol. 20, Núm. 5, pp. 1783-1795
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Enhanced Thermoelectric Performance in Polypyrrole-Based Multilayer Nanoarchitectures via Thermal Reduction
ACS Applied Energy Materials, Vol. 7, Núm. 6, pp. 2351-2361
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Exploring the synthesis and application of a pyrazole derivative in corrosion protection: Theoretical modeling and experimental investigations
Journal of Molecular Structure, Vol. 1312
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High performance all lignin derived supercapacitors for energy storage applications
Materials Today Sustainability, Vol. 26
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Highly-efficient sustainable ionic thermoelectric materials using lignin-derived hydrogels
Advanced Composites and Hybrid Materials, Vol. 7, Núm. 2
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Ligand and structure-based discovery of phosphorus-containing compounds as potential metalloproteinase inhibitors
SAR and QSAR in Environmental Research, Vol. 35, Núm. 3, pp. 219-240
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Lignin-Derived Ionic Conducting Membranes for Low-Grade Thermal Energy Harvesting
Advanced Functional Materials, Vol. 34, Núm. 12
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Multiquery Similarity Searching Models: An Alternative Approach for Predicting Hemolytic Activity from Peptide Sequence
Chemical Research in Toxicology, Vol. 37, Núm. 4, pp. 580-589
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Nanoencapsulation of Organic Phase Change Materials in Poly(3,4-Ethylenedioxythiophene) for Energy Storage and Conversion
Polymers, Vol. 16, Núm. 1
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Photolytic splitting of homodimeric quinone-derived oxetanes studied by ultrafast transient absorption spectroscopy and quantum chemistry
Physical Chemistry Chemical Physics, Vol. 26, Núm. 17, pp. 13489-13496
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Pyrazolate-Bridged NHC Cyclometalated [Pt2] Complexes and [Pt2Ag(PPh3)]+ Clusters in Electroluminescent Devices
Inorganic Chemistry, Vol. 63, Núm. 16, pp. 7275-7285
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Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil
Journal of Physical Chemistry A, Vol. 128, Núm. 12, pp. 2273-2285
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Rational Design of a Potential New Nematicide Targeting Chitin Deacetylase
Journal of Agricultural and Food Chemistry, Vol. 72, Núm. 5, pp. 2482-2491