Results 151 to 160 of about 12,070 (252)

A Density Functional Theory-Based Investigation of a pH- and Redox-Driven Tristable [2]Rotaxane in CH₂Cl₂ Dilute Solution. [PDF]

ChemistryOpen
Zazza C, Sanna N, Borocci S, Grandinetti F.   +3 more
europepmc   +1 more source

Molecular Design Strategies for High‐Voltage Organic Cathodes

Advanced Energy Materials, EarlyView.
This work proposes molecular engineering strategies for high‐voltage organic cathode materials for Li‐ion batteries: (1) increase Li‐O coordination number (CN), (2) achieve a greater increase in aromaticity upon reduction (∆Aromaticity), and (3) add an electron‐withdrawing group (EWG), through a combined experimental and computational study on reported
Sungil Hong, Alae Eddine Lakraychi, Artur Lyssenko, Abhishek Ashwin Panchal, Harshan Reddy Gopidi, Pieremanuele Canepa, Rafael Gómez‐Bombarelli, Yan Yao, Rajeev Surendran Assary   +8 more
wiley   +1 more source

Thermodynamic Operations and Entropy Considerations for a Ring-of-Charge Oscillator System. [PDF]

Entropy (Basel)
Cole DC.
europepmc   +1 more source

Harnessing Phase Dynamics Across Diverse Frequencies with Multifrequency Oscillatory Neural Networks

Advanced Intelligent Discovery, EarlyView.
Oscillatory Neural Networks (ONNs) are an emerging computing paradigm that encodes information in the phases of coupled oscillators. Traditionally, ONNs have been investigated using homogeneous frequency oscillators. However, physical hardware implementations are inherently subject to frequency mismatches, device variability, and nonuniformities.
Nil Dinç, Filip Sabo, Aida Todri‐Sanial   +2 more
wiley   +1 more source

Machine‐Learning‐Guided Discovery of Boron‐Free Narrowband Blue Thermally Activated Delayed Fluorescence Emitters

Angewandte Chemie, EarlyView.
A data‐driven discovery engine—exhaustive enumeration of carbazole‐containing polycyclic aromatic hydrocarbons (Cz‐PAHs) followed by machine learning—identifies boron‐free, narrowband blue thermally activated delayed fluorescence emitters for organic light‐emitting diodes (OLEDs).
Masaya Hagai, Jie Sun, Jun Hyeon Lee, Kazuhiro J. Fujimoto, Shigehiro Yamaguchi, Takuma Yasuda, Takeshi Yanai   +6 more
wiley   +2 more sources

Accurate Quantification of Single Aerosol Particle Microphysical Properties Using Broadband Light Scattering Spectroscopy. [PDF]

J Phys Chem A
Rafferty A, Orr-Ewing AJ, Reid JP, Cotterell MI.   +3 more
europepmc   +1 more source

Exploiting Ferroelectric and Spintronic Dynamics for Neural Network Computation

Advanced Intelligent Systems, EarlyView.
Ferroelectric and spintronic devices, relying on the control of polarization and magnetization, offer intrinsically fast, durable, energy‐efficient, and low‐latency building blocks for analog in‐memory computing. The hysteretic dynamics of an order parameter are leveraged to provide nonvolatile, multistate memory and nonlinear switching. Brain‐inspired
Dashiell Harrison, Kevin Nadaud, Josquin Harrison, Guillaume F. Nataf, Laura Bégon‐Lours   +4 more
wiley   +1 more source

Divergent Synthesis of Möbius and Hückel N‐Heterocycloarenes From a Common Macrocyclic Backbone

Angewandte Chemie, EarlyView.
In the divergent synthesis of Möbius and Hückel N‐heterocycloarenes from a common macrocyclic precursor, the annulation reaction dictates topology: Scholl reaction gives Möbius topology, while InCl3‐mediated alkyne annulation gives Hückel topology. The Möbius N‐heterocycloarene is unevenly contorted as revealed by crystal structure, and the Hückel N ...
Han Chen, Huishu Ma, Daiyue Yang, Zheng Zhou, Xiao Chen, Zhifeng Huang, Qian Miao   +6 more
wiley   +2 more sources

Temporally Coherent Synchrotron Light Sources. [PDF]

J Synchrotron Radiat
Antipov S, Agapov I, Röhlsberger R, Wille HC.   +3 more
europepmc   +1 more source

Visible‐Light‐Induced Carbon–Hydrogen Phosphonylation of Conjugated Polymers via Electron Donor–Acceptor Complex Activation

Angewandte Chemie, EarlyView.
Electron donor–acceptor (EDA) complex activation enabled the efficient transformation of conjugated polymers. Compared with the small‐molecule model compound, the polymers reacted more efficiently, achieving quantitative conversion of PFO. This result demonstrates a new platform for incorporating conjugated polymers into EDA‐mediated photochemical ...
Tomohiro Tamano, Kohei Taniguchi, Yoichiro Eriguchi, Kosuke Sato, Shinsuke Inagi   +4 more
wiley   +2 more sources