Results 171 to 180 of about 170,965 (333)

Exploring Aromaticity in Expanded Porphyrins: A Multidimensional Approach to Structure–Property Relationships

open access: yesChemistry–Methods, EarlyView.
Expanded porphyrins, with their flexible structures and rich redox chemistry, offer a powerful platform to explore how aromaticity shapes molecular properties. This review introduces a multidimensional framework to quantify Hückel and Möbius aromaticity and examines its impact on the spectroscopic behavior across redox‐ and topology‐controlled expanded
Freija De Vleeschouwer   +2 more
wiley   +1 more source

Probing the Hybrid σ/π‐Holes in sp2‐Hybridized Chalcogen Bond Donors and their Complexes with Ammonia

open access: yesChemPhysChem, EarlyView.
A double‐bonded chalcogen bond donor exhibits both a σ‐hole and a π‐hole on the same atom. These unique σ/π‐holes can be tuned based on molecular composition to be directional or semidirectional depending on the donor–acceptor bonding configuration, which differs from the behavior of other electropositive holes.
Kirk A. French   +3 more
wiley   +1 more source

Solvent Effects on the Selectivity of Ambimodal Dipolar/Diels–Alder Cycloadditions: A Study Using Explicit Solvation Models

open access: yesChemPhysChem, EarlyView.
Post‐transition state bifurcation in the reaction of 2‐aminoacrolein with 1,3‐butadiene is investigated using explicit solvation (up to 45 water molecules). GFN2‐xTB dynamics reveal strong solvent‐size effects on branching to (4 + 2) and (4 + 3) cycloadducts via an ambimodal transition state.
Hayato Matsubuchi   +6 more
wiley   +1 more source

Surface hydration‐induced damage in tight oil‐bearing sandy conglomerate reservoirs

open access: yesDeep Underground Science and Engineering, EarlyView.
A series of techniques such as X‐ray diffraction, scanning electron microscopy, energy‐dispersive spectroscopy, conductivity tests, and infrared thermal imaging were used. The key findings are the identification of a two‐stage surface hydration process and the elucidation of the effects of various minerals and elements on the hydration process ...
Anbang Zhao   +5 more
wiley   +1 more source

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