Results 211 to 220 of about 93,451 (264)

Evidence for Methylaluminoxane (MAO) Molecular Structure and Reactivity from Ultrahigh Magnetic Field ²⁷Al MAS NMR Spectroscopy Combined with DFT Calculations. [PDF]

Angew Chem Int Ed Engl
Szeto K, Taoufik M, Fayon F, Gajan D, Zurek E, Autschbach J, Trébosc J, Delevoye L, Gauvin RM.   +8 more
europepmc   +1 more source

Synthesis, Characterization and DFT Calculations of 4-((2-Hydroxyethyl)imino)naphthalen-1(4H)-One and its Cu(II) Complex

, 2018
Gúvenç Görgülü, Bülent Dede
openalex   +1 more source

Molecular Cross‐Linking of MXenes: Tunable Interfaces and Chemiresistive Sensing

Advanced Functional Materials, EarlyView.
In this study, Ti3C2Tx MXenes are initially functionalized using oleylamine ligands to form stable dispersions in an organic solvent. Subsequently ligand exchange with α,ω‐diaminoalkanes enables cross‐linking, along with precise tuning of interfaces. This structural control translates into tunable charge transport and responsive VOC sensing, showing ...
Yudhajit Bhattacharjee, Lukas Mielke, Mahmoud Al‐Hussein, Shivam Singh, Karen Schaefer, Borja Rodriguez‐Barea, Qiong Li, Anik Kumar Ghosh, Artur Erbe, Carmen Herrmann, Yana Vaynzof, Andreas Fery, Hendrik Schlicke   +12 more
wiley   +1 more source

Chemical Orderings in CuCo Nanoparticles: Topological Modeling Using DFT Calculations. [PDF]

Nanomaterials (Basel)
Neyman KM, Alemany P.
europepmc   +1 more source

Naturally Derived Donor‐π‐Acceptor Compounds for Efficient Long‐Wavelength LEDs/Sunlight‐Induced Polymerization and High‐Precision Multiple 3D Printing

Advanced Functional Materials, EarlyView.
Two novel donor–π–acceptor photoinitiators enable ultrafast long‐wavelength photopolymerization under blue/green LEDs and sunlight. Effective at low intensities and concentrations, they overcome slow kinetics and permit rapid 3D printing via DLW, DLP, and LCD methods.
Ji Feng, Tong Gao, Fabrice Morlet‐Savary, Michael Schmitt, Céline Dietlin, Jing Zhang, Pu Xiao, Frédéric Dumur, Jean‐Patrick Joly, Jacques Lalevée   +9 more
wiley   +1 more source

Synthesis, Characterization, Biological Evaluation, DFT Calculations, and Molecular Docking Study of Transition Metal Complexes Derived From a Schiff Base Ligand. [PDF]

Chem Biodivers
Waziri I, Wahab OO, Mala GA, Ismaila MB, Umaru U, Abd El-Maksoud MS, Wakil IM, Yusuf TL.   +7 more
europepmc   +1 more source

High‐Yield Synthesis of Fe‐NC Electrocatalysts Using Mg2+ Templating and Schiff‐Base Porous Organic Polymers

Advanced Functional Materials, EarlyView.
Fe─NC porous oxygen reduction electrocatalysts are prepared employing a 2,4,6‐Triaminopyrimidine‐based porous organic polymer, a Mg2+ Lewis acid, and a low‐temperature cation exchange protocol. Using the polymer precursor achieves high pyrolysis yields and results in atomically dispersed FeNx sites. The resulting catalysts feature hierarchical porosity
Eliot Petitdemange, Jinjie Zhu, Angus Pedersen, Joseph Parker, S. Esmael Balaghi, Shaohua Li, Silvia Favero, José Ignacio Martínez, Sarah Haigh, Maria‐Magdalena Titirici, Anna Fischer, Jesús Barrio   +11 more
wiley   +1 more source

Novel colored hydroxypropyl methyl cellulose/ magnetite carbon dots films for beef packaging with DFT calculations and molecular docking study. [PDF]

Sci Rep
Tohamy HS.
europepmc   +1 more source