Departamento
Departamento de Química Física
Publicacións (60) Publicacións nas que participase algún/ha investigador/a
2016
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A Radical Mechanism for the Vanadium-Catalyzed Deoxydehydration of Glycols
Inorganic Chemistry, Vol. 55, Núm. 21, pp. 11372-11382
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A multitechnique approach on adsorption, self-assembly and quercetin solubilization by Tetronics® micelles in aqueous solutions modulated by glycine
Colloids and Surfaces B: Biointerfaces, Vol. 148, pp. 411-421
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A through-space description of substituent effects leads to inaccurate molecular electrostatic potentials and cation ⋯ π interactions in extended aromatic systems
Physical Chemistry Chemical Physics, Vol. 18, Núm. 20, pp. 13750-13753
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Ab initio investigation of the H2O2 + F elementary reaction
Computational and Theoretical Chemistry, Vol. 1087, pp. 12-17
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Analysis of the temperature dependence of the thermal conductivity of insulating single crystal oxides
APL Materials, Vol. 4, Núm. 10
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Applications: General discussion
Faraday Discussions
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COMPUTER EXERCISES TO MOTIVATE LEARNING ON ESSENTIAL ISSUES OF MOLECULAR QUANTUM CHEMISTRY
EDULEARN16: 8TH INTERNATIONAL CONFERENCE ON EDUCATION AND NEW LEARNING TECHNOLOGIES
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Carbon-nanorings ([10]cpp and [6]cppa) as fullerene (C60and C70) receptors: A comprehensive dispersion-corrected DFT study
Physical Chemistry Chemical Physics, Vol. 18, pp. 31670-31679
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Comment on "theoretical studies on a carbonaceous molecular bearing: Association thermodynamics and dual-mode rolling dynamics" by H. Isobe, K. Nakamura, S. Hitosugi, S. Sato, H. Tokoyama, H. Yamakado, K. Ohno and H. Kono, Chem. Sci., 2015, 6, 2746
Chemical Science, Vol. 7, Núm. 4, pp. 2924-2928
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Comparison of pillar[5]arene and calix[4]arene anion receptor ability in aqueous media
Supramolecular Chemistry, Vol. 28, Núm. 5-6, pp. 464-474
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Competitive counterion complexation allows the true host:guest binding constants from a single titration by ionic receptors
Organic and Biomolecular Chemistry, Vol. 14, Núm. 27, pp. 6442-6448
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Counterion-Controlled Self-Sorting in an Amphiphilic Calixarene Micellar System
Chemistry - A European Journal, Vol. 22, Núm. 19, pp. 6466-6470
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Crystal structure of a lithium salt of a glucosyl derivative of lithocholic acid
Steroids, Vol. 113, pp. 87-94
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Cyclodextrin-based [2]pseudorotaxane formation studied by probe displacement assay
Journal of Physical Organic Chemistry, Vol. 29, Núm. 11, pp. 574-579
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Design for maximum power transfer efficiency of thermoelectric generators using mixed mode simulations
2016 17th International Conference on Thermal, Mechanical and Multi-Physics Simulation and Experiments in Microelectronics and Microsystems, EuroSimE 2016
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Development of Epitaxial Oxide Ceramics Nanomaterials Based on Chemical Strategies on Semiconductor Platforms
Advanced Ceramics (Wiley Blackwell), pp. 1-32
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Erratum: "accurate intermolecular ground-state potential-energy surfaces of the HCCH-He, Ne, and Ar van der Waals complexes" (Journal of Chemical Physics (2005) 123 (014309)
Journal of Chemical Physics
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Evaluation of transnitrosating ability of N-nitrosoguanidines to alkyl thiols and thiol amino acids
Tetrahedron, Vol. 72, Núm. 9, pp. 1177-1184
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Evolution of phospholipid contents during the production of quark cheese from buttermilk
Journal of Dairy Science, Vol. 99, Núm. 6, pp. 4154-4159
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Experiments on In2S3:Sn Thin Films with up to 1% Tin Content
Journal of Electronic Materials, Vol. 45, Núm. 11, pp. 5936-5947