Results 21 to 30 of about 987 (115)

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

The Role of Zn–Hf Site Proximity and Oxygen Vacancies for Methanol Formation Over ZnHfOx Catalysts Under CO2 Hydrogenation Conditions

open access: yesAngewandte Chemie, EarlyView.
ZnHfOx catalysts enable highly selective hydrogenation of CO2 to methanol over a wide range of Zn contents, as the Zn‐VO‐Hf active motif (VO = oxygen vacancy) exists not only in solid solution‐type ZnHfOx for low Zn contents (≤ 35 mol%), but also as HfOx cluster/single atom decorated ZnO surfaces for Zn contents > 95 mol%.
Alexander Oing   +8 more
wiley   +2 more sources

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

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

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

In Silico Screening of the DrugBank Database to Search for Possible Drugs against SARS-CoV-2

open access: yesMolecules, 2021
Coronavirus desease 2019 (COVID-19) is responsible for more than 1.80 M deaths worldwide. A Quantitative Structure-Activity Relationships (QSAR) model is developed based on experimental pIC50 values reported for a structurally diverse dataset.
Sebastián A. Cuesta   +2 more
doaj   +1 more source

GAS PHASE DECOMPOSITION OF T-BUTYL METHYL ETHER CATALYZED BY DIFFERENT HYDROGEN HALIDES: A DFT STUDY

open access: yesinfoANALITÍCA, 2022
The gas phase decomposition of t-butyl methyl ether catalyzed by hydrogen halides is studied. Four different hydrogen halides (fluorine, chlorine, bromine, and iodine) were evaluated to determine the electronic influence of the halogen in the reaction ...
Sebastian Adolfo Cuesta   +2 more
doaj   +1 more source

A Cu‐Based Near‐IR Active MOF with an Ion‐Pair Guest Exhibiting Versatile and Selective Gas‐Solid Reactivity

open access: yesAdvanced Materials, EarlyView.
The new Cu‐containing MOF (Me2NH2)(CuICl2)@[Cu4(INA)4Cl2O]·1.5dmf (3) contains a cation and an anion as guests and shows UV‐near‐mid‐IR absorption and near‐IR emission. MOF 3 shows gas‐solid reactivity in the presence of NH3 and HCOOH to yield two new 3D MOF.
Rajat Saha   +10 more
wiley   +1 more source

COFs on MOFs: Layer‐by‐Layer Synthesis of MOF@COF Nanoparticles with Synergistic Adsorption

open access: yesAdvanced Materials, EarlyView.
A layer‐by‐layer strategy enables the growth of crystalline covalent organic framework (COF) shells on metal–organic framework nanoparticles, creating core–shell structures with tunable porosity. Ordered interstitial mesopores are formed during shell growth, which are connected with the COF's intrinsic micropores, thereby enhancing water sorption. This
Ana Guillem‐Navajas   +11 more
wiley   +1 more source

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