Results 151 to 160 of about 1,023,840 (276)

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

open access: yesChemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer   +3 more
wiley   +1 more source

Green Electrochromic Film Formation via Phenylcarbazole Polymerization in Ionic Liquids

open access: yesChemistry – A European Journal, EarlyView.
The scheme depicts the three‐step electropolymerization of two electrochromic polycarbazole derivatives, 4‐(9H‐carbazol‐9‐yl)phenol and 4‐(3‐methoxy‐9H‐carbazol‐9‐yl)phenol, performed at constant potential using the green ionic liquid BMIM TFSI. This medium enables controlled polymer growth and enhances electrochromic performance, yielding robust and ...
Carolina Gascó   +3 more
wiley   +1 more source

Synthesis and characterization of amphiphilic nitroxide 1,1,3,3–tetraethylisoindoline–2–oxyl–5–sodium sulfonate (TEIOSNa)

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract The synthesis and characterization of an amphiphilic nitroxide to be used as a controlling agent in a nitroxide‐mediated living radical polymerization in aqueous dispersion media is presented. In the first stage of nitroxide synthesis (phthalimide protection), two reaction methods were employed: traditional and microwave.
Enrique García‐Leal   +3 more
wiley   +1 more source

Design and implementation of a 3D‐printed modular distillation tower for experimental teaching in chemical engineering

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract Several authors have reported the disconnection between the skills, abilities, and attitudes of graduates from STEM careers with the current needs of the labour market. In science and engineering fields, research has found the need for interdisciplinary approaches that encourage meaningful learning.
Úrsula Manríquez‐Tolsá   +7 more
wiley   +1 more source

Chromosome-level assembly and phylophenetic insights of Cladosporium oxysporum A3.I.1, a fungus with the ability to degrade polyurethane polymers. [PDF]

open access: yesG3 (Bethesda)
Sánchez-Reyes A   +5 more
europepmc   +1 more source

Chemical engineering as an essential element of industrial biotechnology in Mexico: New aims in research and university education

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract On the centennial of higher education in Chemical Engineering in Mexico, it is pertinent to revisit the key stages that have contributed to its consolidation as a vital discipline for the nation's scientific and technological advancement. Although the initial mission of chemical engineering education was primarily oriented toward the training ...
Agustín López Munguía   +3 more
wiley   +1 more source

WSPLK: A systematic approach to the thermodynamic characterization of light and heavy Mexican crude oil

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract A streamlined characterization framework (WSPLK) is presented for modelling complex reservoir fluids using cubic equations of state. The key methodological contribution is the introduction of a single global parameter ε directly into Pedersen's boiling‐point correlation, restoring pure‐component calibration and eliminating the need for ...
Angélica Merlo‐Robredo   +3 more
wiley   +1 more source

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