Results 91 to 100 of about 871,584 (246)

Unveiling Correlations in Metal‐Organic Interface Properties: A Computational Exploration of Alternant and Non‐Alternant π‐Electron Systems

open access: yesChemPlusChem, EarlyView.
The properties of metal‐organic interfaces are important for the performance of organic electronic devices. The adsorption of alternant and non‐alternant polycyclic conjugated hydrocarbons on Cu(111) was modeled using first‐principle DFT calculations. The difference in interface properties between physisorption and chemisorption is shown and relations ...
Jakob Schramm, Ralf Tonner‐Zech
wiley   +1 more source

Spectroscopic Investigations of a Vandalized Contemporary Acrylic Painting on Canvas Using Model Paintings and Chemometrics

open access: yesChemPlusChem, Accepted Article.
The characterization and conservation of materials constituting contemporary art pose a significant challenge for scientists and restorers due to the wide variability and heterogeneity in their compositions and their chemical instability. The aim of this study is to contribute to the understanding of the composition and ageing of materials in ...
Jana Striova   +4 more
wiley   +1 more source

Corrigendum to “Present status of Medical Physics practice in Mexico: An occupational analysis” [Phys. Med. 76 (2020) 55-61] [PDF]

open access: bronze, 2020
Diana García-Hernández   +6 more
openalex   +1 more source

Diazonium Salts in Visible Light Photocatalysis – a Focused Overview of their Application in Continuous Flow Synthesis

open access: yesChemPhotoChem, EarlyView.
The combination of continuous flow technology and visible light photocatalysis has been used to improve the safety and productivity of reactions with diazonium salts as reactive intermediates. This approach has proven to be a reliable method for various organic synthesis routes with diazonium salts under mild and well‐defined conditions.
Christoph Deckers, Thomas H. Rehm
wiley   +1 more source

Physics‐based inverse modeling of battery degradation with Bayesian methods

open access: yesChemSusChem, Accepted Article.
To further improve Lithium‐ion batteries (LiBs), a profound understanding of complex battery processes is crucial. Physical models offer understanding but are difficult to validate and parameterize. Therefore, automated machine‐learning methods (ML) are necessary to evaluate models with experimental data. Bayesian methods, e.g., Expectation Propagation
Micha Philipp   +3 more
wiley   +1 more source

En Route Toward Sustainable Polycarbonates Via Large Cyclic Carbonates

open access: yesChemSusChem, Accepted Article.
This review reports an up‐to‐date overview of the synthetic methodologies developed for the preparation of large cyclic organic carbonates with ≥ 6‐membered rings (6M‐CCs and above), highlighting the most sustainable synthetic pathways employing diols (including renewable‐based ones) and non‐hazardous carbonyl sources, e.g., linear organic carbonates ...
Francesco Della Monica   +5 more
wiley   +1 more source

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