Results 131 to 140 of about 9,553 (252)

The Mechanism of Visible‐Light Photochemical Rearrangements of Conjugated Amide Enolates

open access: yesChemistry – A European Journal, EarlyView.
Visible light irradiation of extended enolates of N‐benzylamides leads to homolytic C─N Bond cleavage, generating a biradical. Computational and mechanistic studies suggest rapid radical recombination within a solvent cage to give either ring‐expanded or rearranged products. ABSTRACT Deprotonation of conjugated amides forms colored solutions of lithium
James Mortimer   +3 more
wiley   +1 more source

Multistep Changes in Spin‐Crossover Temperature Induced by Stepwise Desolvations

open access: yesChemistry – A European Journal, EarlyView.
A novel Fe(II) complex (1·3VN) exhibits SCO behavior in which the spin transition temperature sequentially increases and then decreases by stepwise removal of valeronitrile (VN) molecules. These non‐monotonic changes in the transition temperature are explained by the changes in intermolecular interactions among the Fe complex and each valeronitrile ...
Taisei Suzuki   +10 more
wiley   +1 more source

Structural insight into the cooperativity of spin crossover compounds. [PDF]

open access: yesActa Crystallogr B Struct Sci Cryst Eng Mater, 2023
Shahed H   +12 more
europepmc   +1 more source

Hybrid machine learning and genetic algorithm approach for catalyst and process optimization in Fischer–Tropsch synthesis toward sustainable fuel production

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Graphical representation of a data‐driven framework for Fischer‐Tropsch synthesis (FTS) modelling and optimization. Abstract This study presents a data‐driven approach for predicting the relationships between catalyst design, process conditions, and product selectivity in Fischer–Tropsch synthesis (FTS).
Doaa M. Hassan   +2 more
wiley   +1 more source

Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods

open access: yesContributions to Plasma Physics, EarlyView.
ABSTRACT We benchmark nonequilibrium Green's function (NEGF) approaches for interaction quenches in the half‐filled Fermi–Hubbard model in one and two dimensions. We compare fully self‐consistent two‐time Kadanoff–Baym equations (KBE), the generalized Kadanoff–Baym ansatz (GKBA), and the recently developed NEGF‐based quantum fluctuations approach (NEGF‐
Jan‐Philip Joost   +3 more
wiley   +1 more source

On-the-Fly Synthesis of Freestanding Spin-Crossover Architectures With Tunable Magnetic Properties. [PDF]

open access: yesAdv Mater
Ngo AT   +12 more
europepmc   +1 more source

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