Results 21 to 30 of about 963 (111)

A Theoretical Study on the Structural, Electronic, and Magnetic Properties of Bimetallic Pt13−nNin (N = 0, 3, 6, 9, 13) Nanoclusters to Unveil the Catalytic Mechanisms for the Water-Gas Shift Reaction

open access: yesFrontiers in Chemistry, 2022
In this work, first-principles calculations by using density functional theory at the GFN-xTB level, are performed to investigate the relative stability and structural, electronic, and magnetic properties of bimetallic Pt13−nNin (n = 0, 3, 6, 9, 13 ...
Manoel Victor Frutuoso Barrionuevo   +3 more
doaj   +1 more source

Defects in the supersymmetric mKdV hierarchy via Bäcklund transformations

open access: yesJournal of High Energy Physics, 2018
The integrability of the N=1 $$ \mathcal{N}=1 $$ supersymmetric modified Korteweg de-Vries (smKdV) hierarchy in the presence of defects is investigated through the construction of its super Bäcklund transformation. The construction of such transformation
A.R. Aguirre   +4 more
doaj   +1 more source

Thermoelectric properties through a wire composed of isoprene molecules

open access: yesAIP 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
doaj   +1 more source

GSK3α: An Important Paralog in Neurodegenerative Disorders and Cancer

open access: yesBiomolecules, 2020
The biological activity of the enzyme glycogen synthase kinase-3 (GSK3) is fulfilled by two paralogs named GSK3α and GSK3β, which possess both redundancy and specific functions.
Octavio Silva-García   +4 more
doaj   +1 more source

Sustentabilidad y Educación Química

open access: yesEducación Química, 2013
Sustainability and Chemistry Education Sustainability is the mantra —“a word capable of creating transformation”— for the twenty-first century. In the face of challenges motivated by human growth, the adoption of a sustainable path for development in ...
Carlos Amador Bedolla
doaj   +1 more source

Durabilidad humana y la educación química

open access: yesEducación Química, 2013
Human durability and chemical education Two hundred years of intense economical growth, centrally driven by abundant access to sources of inexpensive energy, have allowed the establishment of a social paradigm that has directed the development of all ...
Carlos Amador-Bedolla
doaj   +1 more source

Predicting Pt-195 NMR Chemical Shift and 1J(195Pt-31P) Coupling Constant for Pt(0) Complexes Using the NMR-DKH Basis Sets

open access: yesMagnetochemistry, 2021
Pt(0) complexes have been widely used as catalysts for important reactions, such as the hydrosilylation of olefins. In this context, nuclear magnetic resonance (NMR) spectroscopy plays an important role in characterising of new structures and elucidating
Joyce H. C. e Silva   +2 more
doaj   +1 more source

Sistemas cuánticos individuales

open access: yesEducación Química, 2013
Individual Quantum Systems The Nobel Prize in Physics for 2012 was awarded to Serge Haroche and David J. Wineland “for ground-breaking experimental methods that enable measuring and manipulation of individual quantum systems”.
Jorge A. Campos
doaj   +1 more source

Selective Hydrodemethylation of Methylalkylbenzenes on Potassium Hydride. [PDF]

open access: yesAngew Chem Int Ed Engl
Selective catalytic hydrodealkylation of methylalkylbenzenes on carbon‐supported potassium hydride is reported. The reaction exhibits a reactivity trend of 1° ∼ 2° ∼ 3° < CH3, which is opposite to traditional dealkylation and hydrodealkylation. DFT calculations on the (001) facet of KH with ortho‐ethyltoluene suggest that selectivity is controlled by ...
Tian P   +5 more
europepmc   +2 more sources

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