Results 171 to 180 of about 2,902,543 (209)

Exploring the Boundaries of Aromaticity in Complex Structures and Excited States Through Computational Analysis

open access: yesChemistry – A European Journal, EarlyView.
Understanding aromaticity has evolved from benzene‐centric concepts to a broad multidimensional framework spanning organic, inorganic, and excited‐state systems. This review highlights ambiguities between magnetic, electronic, geometric, and energetic descriptors, emphasizing the need for unified, multi‐criteria approaches.
Sílvia Escayola   +2 more
wiley   +1 more source

Encapsulation of Linear and Cyclic Alkanes in Water Within a Dimeric Deep‐Cavity Sulfonatocalix[4]arene Capsule

open access: yesChemistry – A European Journal, EarlyView.
Captured in water. A tetrasulfonated deep‐cavity calix[4]arene encapsulates linear and cyclic alkanes, as well as benzene and hexafluorobenzene, in water by forming a self‐assembled dimeric capsule. The binding affinity is guest size‐dependent. For linear alkanes, the affinity peaks at n‐hexane, while cyclooctane is the most strongly bound cycloalkane.
Nico Schneider   +5 more
wiley   +1 more source

Hidden in Plain Sight: Aromaticity of Hexagonal Boron Nitride

open access: yesChemistry – A European Journal, EarlyView.
How apt is the nickname “white graphene” for hexagonal boron nitride (hBN)? Although graphene's aromaticity is well established, it is not known if hBN is aromatic. In this work, hBN's aromaticity is probed using magnetic and energetic criteria. Group‐theoretic considerations and magnetically induced current density maps are used to further reveal the ...
Suryakanti Debata   +2 more
wiley   +1 more source

Defossilisation of the Energy Supply of a Chemical Site by Integration of a Carnot Battery

open access: yesChemie Ingenieur Technik, EarlyView.
This study presents the results of a techno‐economic analysis of CO2‐free energy supply concepts for electricity and heat for the defossilisation of a chemical park in Germany for the model years 2030 and 2045. The focus is on the integration of a Carnot battery with thermal energy storage, which enables the flexible use of green fuels and renewable ...
Martin Bolten   +6 more
wiley   +1 more source

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