Results 81 to 90 of about 13,033 (225)
Electronic Structure and Multisite Basicity of the Pyramidal Phosphinidene-Bridged Dimolybdenum Complex[Mo2(η5‑C5H5)(μ‑κ1:κ1,η5‑PC5H4)(η6‑C6H3tBu3)(CO)2(PMe3)] [PDF]
, 2015 We thank the DGI of Spain for financial support (Project CTQ2012-33187) and the X-ray unit of the Universidad de Oviedo for acquisition of diffraction ...
García Díaz, María Esther +4 more
core +2 more sources
Advances in Metal Organic Framework (MOF)–Integrated Smart Textiles
Small Structures, Volume 7, Issue 4, April 2026.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
The influence of long chain branches of LLDPE on processability and physical properties
Polímeros, 2015 Two polyethylene-based on single-site metallocene catalyst (mLLDPE) were selected to characterize the effect of long chain branching (LCB) on blown film processability, optical and mechanical properties.
Paula Cristina Dartora +2 more
doaj +1 more source
ASH: A Multi‐Scale, Multi‐Theory Modeling Program
Journal of Computational Chemistry, Volume 47, Issue 8, 30 March 2026.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
, 2014 Citation: 'metallocenes' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.M03865 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire +1 more source
Zeitschrift für anorganische und allgemeine Chemie, Volume 652, Issue 4, 17 March 2026.Ferrocene‐based N‐heterocyclic tetrylenes [Fe{(η5‐C5H4)NBTrip2}2E](E = GePb; Trip = C6H2‐2,4,6‐iPr3)exhibit long EN and short BN bonds, in agreement with increased electrophilicity due to the ‐M effect of the N‐substituents, whose stericdemand prevents coordination of 4‐(dimethylamino)pyridine (DMAP) to theplumbylene PbII atom, but allows the ...
Sneha Mullassery +3 more
wiley +1 more source
Modeling of synthesis and flow properties of propylene-diene copolymers [PDF]
, 2014 Copolymerization with nonconjugated dienes offers an attractive route for introducing long-chain branching in polypropylene. From a simplified set of rate equations for such copolymerization with a metallocene catalyst, we derive the probabilities of ...
Das, C +3 more
core +1 more source
Computational and Machine‐Learning Studies of Ethylene Oligomerization
Carbon and Hydrogen, Volume 28, Issue 1, Page 40-65, March 2026.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
, 2003 The past 15 years have witnessed tremendous advances in the design and use of organometallic complexes as precatalysts for olefin polymerization. Most recently, an intense search has been started in next-generation single-site catalysts. New approaches have been taken to ligand design.
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Olefin Polymerizations Oriented by Rational Designs of Group‐13 Compounds
The Chemical Record, Volume 26, Issue 3, March 2026.In coordination olefin polymerization chemistry, boron and aluminum compounds play important roles in both catalyst components and monomers. This personal account introduces our recent progress on the development of catalyst systems featured by the design of group‐13 counteranions, as well as the application of boronic acid‐crosslinked polyolefins to ...
Ryo Tanaka, Yu Zou
wiley +1 more source