Results 1 to 10 of about 51,702 (181)
Inorganics, 2023 In this review, we want to explain how the burning of fossil fuels is pushing us towards green energy. Actually, for a long time, we have believed that everything is profitable, that resources are unlimited and there are no consequences.
Jesús Antonio Luque-Urrutia +3 more
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Nature Communications, 2021 Controlling the electronic states of molecules is a fundamental challenge for future sub-nanoscale device technologies but the external dynamical control of these states still awaits experimental realization.
Isaac Alcón +5 more
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La estructuración de una herramienta para la enseñanza de la química de bachillerato (EduQuim) utilizando la plataforma Moodle [PDF]
Ikastorratza.e-Revista de Didáctica, 2020 The EduQuim tool has been structured in Moodle with the B-learning modality in order to carry out research in the teaching and learning of Chemistry in high school students.
Mary Luz Tovar +3 more
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Thermoelectric properties through a wire composed of isoprene molecules
AIP Advances, 2020 In this work, we study the electrical and thermoelectric properties through carbon bonds acting as nanowires derived from linear unsaturated organic molecules with a π conjugated system composed of isoprene molecules (NWIM) linked to leads.
Miguel Andrés Rivera Mateus +2 more
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Catalytic Oxidation of Primary C–H Bonds in Alkanes with Bioinspired Catalysts
CHIMIA, 2020 Catalytic oxidation of primary C–H bonds of alkanes with a series of iron and manganese catalysts is investigated. Products resulting from oxidation of methylenic sites are observed when hexane (S1) is used as model substrate, while corresponding primary
Valeria Dantignana +2 more
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infoANALITÍCA, 2020 Con el avance de la tecnología, la química computacional se ha convertido en pieza clave de las investigaciones científicas. Hoy en día, la química computacional ha logrado obtener métodos y algoritmo capaces de reducir errores en la predicción de ...
Sebastián Cuesta H., Lorena Meneses O.
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Can We Safely Obtain Formal Oxidation States from Centroids of Localized Orbitals?
Molecules, 2020 The use of centroids of localized orbitals as a method to derive oxidation states (OS) from first-principles is critically analyzed. We explore the performance of the closest-atom distance criterion to assign electrons for a number of challenging systems,
Martí Gimferrer +2 more
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Exfoliation Energy as a Descriptor of MXenes Synthesizability and Surface Chemical Activity
Nanomaterials, 2021 MXenes are two-dimensional nanomaterials isolated from MAX phases by selective extraction of the A component—a p-block element. The MAX exfoliation energy, Eexf, is considered a chemical descriptor of the MXene synthesizability. Here, we show, by density
Daniel Dolz +3 more
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Generalized Sparse Discriminant Analysis for Event-Related Potential Classification [PDF]
, 2017 A brain computer interface (BCI) is a system which provides direct communication between the mind of a person and the outside world by using only brain activity (EEG).
Peterson, Victoria +2 more
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Molecules, 2023 Amphotericin B (AmB) is an antibiotic with a wide spectrum of action and low multidrug resistance, although it exhibits self-aggregation, low specificity, and solubility in aqueous media. An alternative for its oral administration is its encapsulation in
Jennifer Cuellar +3 more
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