Results 161 to 170 of about 1,574,076 (309)

eChem: Accelerated Method Development in Quantum Chemistry with Notebooks

open access: yesChemistry–Methods, EarlyView.
The benefits of using Jupyter Notebooks to simplify and accelerate scientific code development are demonstrated using the practical example of the analytical molecular Hessian. The eChem project has been previously presented as an interactive platform for quantum and computational chemistry education [J. Chem. Educ. 100, 1664–1671].
Manuel Hodecker   +2 more
wiley   +1 more source

Missing interstellar sulfur in inventories of polysulfanes and molecular octasulfur crowns. [PDF]

open access: yesNat Commun
Herath A   +8 more
europepmc   +1 more source

Exploring the Influence of Carbonaceous Material on the Photocatalytic Performance of the Composites Containing Bi–BiOBr and P25 TiO2 for NOx Remediation

open access: yesChemPhysChem, EarlyView.
Bi/BiOBr/P25 TiO2 composites are synthesized via a solvothermal method incorporating 1 wt% of a carbon‐based material (graphene oxide [GO], graphene, carbon nanotubes, or buckminsterfullerene). The GO–based composite exhibits the highest photocatalytic NOx removal efficiency (≈22% NO and ≈15% NO2) with these synergetic improvements attributed to ...
Paransa Alimard   +7 more
wiley   +1 more source

Symmetric Bis‐Kryptopyrrol‐2‐Yl Squaraine as a Viscosity Probe and Dual‐State Emitter

open access: yesChemPhotoChem, EarlyView.
Previously unknown capabilities of one of the original squaraine dyes as a viscosity probe and dual‐state emitter are revealed, with aggregated forms of the dye being responsible for the near‐IR emission in the solid state. Easily accessible small organic fluorophores with multiplexing capabilities are of interest for a variety of fields.
Daniel D. Ta   +15 more
wiley   +1 more source

Red‐to‐Near‐Infrared Electroluminescence and Low‐Threshold Amplified Spontaneous Emission from Solution‐Processable Fluorescent Diketopyrrolopyrrole Derivatives

open access: yesChemPhotoChem, EarlyView.
The photophysical, electroluminescence, and amplified spontaneous emission properties of two solution‐processable fluorescent diketopyrrolopyrrole derivatives are examined in details. The results demonstrate that this type of organic near‐infrared light‐emitting materials are extremely promising for organic light‐emitting diodes and organic ...
Anthony D’ Aléo   +10 more
wiley   +1 more source

Advanced Pseudocapacitive Performances of a Ti3C2Tx–ZnOHF/ZnO Nanocomposite for Energy Storage Applications

open access: yesChemSusChem, EarlyView.
MXene and zinc‐based nanostructures are investigated as hybrid electrodes for energy storage. The hybrid electrodes are prepared via spray coating and evaluated as cathode materials for supercapacitors in neutral electrolytes. We find an enhancement of the specific capacitance to 236 F g−1 at 5 mV s−1.
Gisella M. Di Mari   +9 more
wiley   +1 more source

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