Results 131 to 140 of about 9,553 (252)
The Mechanism of Visible‐Light Photochemical Rearrangements of Conjugated Amide Enolates
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
Spin crossover particle shielding upon grinding in thermoplastic polyurethane composites. [PDF]
Trapali A +4 more
europepmc +1 more source
Multistep Changes in Spin‐Crossover Temperature Induced by Stepwise Desolvations
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
Rationalizing Spin-Crossover Properties of Substituted Fe (II) Complexes. [PDF]
Comas-Vilà G, Salvador P.
europepmc +1 more source
Structural insight into the cooperativity of spin crossover compounds. [PDF]
Shahed H +12 more
europepmc +1 more source
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
Polymer Mediated Control and Migration Effects in Spin-Crossover-Polymer Hybrids Towards Tunable Thermal Sensing Applications. [PDF]
Mathioudakis GN +5 more
europepmc +1 more source
Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods
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]
Ngo AT +12 more
europepmc +1 more source

