Advances in Metal Organic Framework (MOF)–Integrated Smart Textiles
This review provides a comprehensive overview of recent advances in MOF‐integrated smart textiles, focusing on material design principles, integration strategies, and application‐driven performance. Metal–organic frameworks (MOFs), composed of metal nodes coordinated with organic ligands, have emerged as a versatile class of functional materials for ...
Zahir Abbas +6 more
wiley +1 more source
Developments of Chiral Metallocenes as Polymerization Catalysts
This review article describes developments in chiral metallocenes as polymerization catalysts focusing on C2 symmetric ansa-zirconocene complexes. Selective synthesis of rac-isomers of ansa-zirconocenes are surveyed.
Takeshi Shiono, Yuushou Nakayama
doaj +1 more source
Novel functionalized polyolefins as compatibilizers in polyolefin/polyamide 6 blends and polyethylene/metal hydroxide composites [PDF]
Ricinoloxazoline maleinate (OXA) was grafted by melt free radical grafting onto polyolefins and elastomers to produce new compatibilizers for polymer blends.
Hippi, Ulla
core
ASH: A Multi‐Scale, Multi‐Theory Modeling Program
ASH is a Python‐based computational chemistry software for multi‐scale and multi‐theory computations (including QM/MM and ONIOM) and MD simulations. The program is designed for flexible workflows of molecular and biomolecular systems, allowing geometry optimizations, numerical frequencies, high‐level thermochemistry, MD and free‐energy simulations, NEB
Ragnar Bjornsson
wiley +1 more source
Research progress and applications of novel perfluoroaryl borate in polymerization
Metallocene catalysts, renowned for their exceptional activity, have drawn widespread attention in academia and industry for polymerization. Additionally, cocatalysts are pivotal in metallocene systems, significantly influencing both catalytic activity ...
Wei Yiming +6 more
doaj +1 more source
Designing organometallic compounds for catalysis and therapy [PDF]
Bioorganometallic chemistry is a rapidly developing area of research. In recent years organometallic compounds have provided a rich platform for the design of effective catalysts, e.g. for olefin metathesis and transfer hydrogenation.
Abraha Habtemariam +188 more
core +1 more source
Computational and Machine‐Learning Studies of Ethylene Oligomerization
This review focuses on recent advances in computational and machine‐learning studies of ethylene oligomerization, highlighting mainstream catalyst systems based on Co, Ta, Ti, Zr, and Hf, with particular emphasis on Fe‐ and Cr‐based catalysts and their controlling factors governing reactivity and LAO distribution.
Zhixin Qin +3 more
wiley +1 more source
Catalytic N_2-to-NH_3 Conversion by Fe at Lower Driving Force: A Proposed Role for Metallocene-Mediated PCET [PDF]
We have recently reported on several Fe catalysts for N_2-to-NH_3 conversion that operate at low temperature (−78 °C) and atmospheric pressure while relying on a very strong reductant (KC_8) and acid ([H(OEt_2)_2][BArF_4]). Here we show that our original
Chalkley, Matthew J. +4 more
core +1 more source
Metallocene to metallocene conversion. Synthesis of an oxazoline-substituted pentamethyliridocenium cation from a ferrocenyloxazoline [PDF]
Reaction of (S)-2-ferrocenyl-4-(1-methylethyl)oxazoline with [(CpIrCl2)-Ir-star](2) in benzonitrile with KPF6 and NaOH gave (eta(5)-(S)-2-(4-(1-methylethyl))oxazolinylcyclopentadienyl)(eta(5)-pentamethylcyclopentadienyl)-iridium(III) hexafluorophosphate (
Arrayás +31 more
core +1 more source
This research aimed to investigate the copolymerization of ethylene and various 1-olefins. The comonomer lengths were varied from 1-hexene (1-C6) up to 1-octadecene (1-C18) in order to study the effect of comonomer chain length on the activity and ...
Mingkwan Wannaborworn +2 more
doaj +1 more source

