Síntese, Estructura e Simulación (S3)
QO3
Universidade de Santiago de Compostela
Santiago de Compostela, EspañaPublicacións en colaboración con investigadores/as de Universidade de Santiago de Compostela (45)
2024
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P/M Macromolecular Switch Based on Conformational Control Exerted by an Achiral Side Chain within an Axially Chiral Locked Pendant
Journal of the American Chemical Society, Vol. 146, Núm. 1, pp. 752-759
2023
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Dynamic Axial-to-Helical Communication Mechanism in Poly[(allenylethynylenephenylene)acetylene]s under External Stimuli
Angewandte Chemie - International Edition, Vol. 62, Núm. 29
2021
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NMR spectral fingerprint patterns as diagnostics for the unambiguous configurational analysis of the classic organo-gelator 1,3:2,4-dibenzylidene-d-sorbitol (DBS) and its derivatives
Magnetic Resonance in Chemistry, Vol. 59, Núm. 6, pp. 608-613
2019
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Double Protonation of a cis-Bipyridoallenophane Detected via Chiral-Sensing Switch: The Role of Ion Pairs
Organic Letters, Vol. 21, Núm. 15, pp. 5898-5902
2018
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Diseño racional in silico de nuevas nanoestructuras de tipo dador‐aceptor en forma de anillo para una captura eficiente de herbicidas de amonio cuaternario
La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química.: Volumen 9. Año 2018
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Profundización teórica sobre interacciones intermoleculares que involucran un σ‐hole. La electrostática no siempre controla el enlace calcógeno
La investigación del Grupo Especializado de Termodinámica de las Reales Sociedades Españolas de Física y Química.: Volumen 9. Año 2018
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Rational Design of Efficient Environmental Sensors: Ring-Shaped Nanostructures Can Capture Quat Herbicides
ACS Omega, Vol. 3, Núm. 12, pp. 16976-16988
2015
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A Covalent Organic Helical Cage with Remarkable Chiroptical Amplification
Chemistry - A European Journal, Vol. 21, Núm. 50, pp. 18085-18088
2014
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Preparation and characterization of a halogen-bonded shape-persistent chiral alleno-acetylenic inclusion complex
Organic Letters, Vol. 16, Núm. 4, pp. 1136-1139
2013
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Bis(o-methylserotonin)-containing iridium(III) and ruthenium(II) complexes as new cellular imaging dyes: Synthesis, applications, and photophysical and computational studies
Journal of Biological Inorganic Chemistry, Vol. 18, Núm. 6, pp. 679-692
2012
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Rotation-locked 2,6-pyrido-allenophanes: Characterization of all stereoisomers
Chemistry - A European Journal, Vol. 18, Núm. 43, pp. 13836-13843
2011
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First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines
Molecular Diversity, Vol. 15, Núm. 2, pp. 561-567
2009
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Chiral (2,5)Pyrido[74]allenoacetylenic cyclophanes: Synthesis and characterization
Chemistry - A European Journal, Vol. 15, Núm. 26, pp. 6495-6503
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QSAR and complex network study of the chiral HMGR inhibitor structural diversity
Bioorganic and Medicinal Chemistry, Vol. 17, Núm. 1, pp. 165-175
2007
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Synthesis of cyclopenta[d]pyridazinediol precursors of carbanucleosides
Synthesis, pp. 2621-2626
2006
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Computation of vertical excitation energies of retinal and analogs: Scope and limitations
Journal of Computational Chemistry, Vol. 27, Núm. 1, pp. 116-123
2005
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Preparation of 13C4-6-methyl anthranilic ester via a Diels-Alder-type process. An experimental and theoretical study to characterize an unexpected isotope exchange
Organic Letters, Vol. 7, Núm. 17, pp. 3773-3776
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Synthesis of N-heteroaryl retinals and their artificial bacteriorhodopsins
ChemBioChem, Vol. 6, Núm. 11, pp. 2078-2087