Results 231 to 240 of about 39,298 (298)

Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods

open access: yesChemistry – A European Journal, EarlyView.
We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic   +6 more
wiley   +1 more source

The Asymmetric Self‐Replicative Alkylation of N‐Arylaldimines Using Organolithium Reagents

open access: yesChemistry – A European Journal, EarlyView.
Here, we report a new asymmetric autoinductive reaction; the addition of nBuLi to N‐arylaldimines to form chiral lithium amides. The reaction proceeds with full conversion and complete transfer of chirality, representing the first example of an asymmetric autoinductive reaction with organolithium reagents.
Anka Hagelschuer   +2 more
wiley   +1 more source

Clinician Nudge to Gynecologic Oncology Referral at Suspected Ovarian Cancer Diagnosis: A Pilot Study. [PDF]

open access: yesCancer Control
Smith AJB   +9 more
europepmc   +1 more source

Lewis‐Acidic Properties and Catalytic Behavior of Hydroboration‐ and Diolysis‐Derived NHC‐Stabilized Borenium Cations

open access: yesChemistry – A European Journal, EarlyView.
A series of thirteen (N‐heterocyclic carbene) NHC‐stabilized borenium cations is synthesized from NHC→BH3 complexes via hydroboration and condensation with diols. The novel compounds are fully characterized. Eight crystal structures are presented. Kinetic and NMR data show how the structural features translate to catalytic activity in hydrosilylation ...
Michał Jakubczyk   +4 more
wiley   +1 more source

Application of Nudges to Design Clinical Decision Support Tools: Systematic Approach Guided by Implementation Science.

open access: yesJ Med Internet Res
Trinkley KE   +12 more
europepmc   +1 more source

Energy Flexibilization and Demand Response for a Novel Decentralized Power‐to‐Methanol Process

open access: yesChemie Ingenieur Technik, EarlyView.
This study presents the results of an optimization framework for the scheduling of a Power‐to‐methanol process coupled with an electrolyser, renewable energy sources and a battery. The optimal dynamic operating schedule is computed with different configurations and boundary conditions, showing the advantages of flexible operation.
Max Kollmer   +5 more
wiley   +1 more source

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