Results 41 to 50 of about 8,581,160 (147)

Toward Safer and Sustainable Lithium Metal Batteries: Fluorine‐Free Solid Polymer Electrolytes

ENERGY &ENVIRONMENTAL MATERIALS, Volume 9, Issue 5, September 2026.
An analysis to assess the impact of fluorine in polymer electrolyte‐based lithium metal batteries has been conducted. It has been demonstrated that fluorine‐free LiTIM salt delivers a electrochemical performance similar to that of its fluorinated analogue salts, given the complete lithium dissociation in coordination with PEO and the restricted anion ...
David Fraile‐Insagurbe, Leire Meabe, Brigette Althea Fortuin, Itsaso Segura‐Laparra, Elene Sasieta‐Barrutia, Rosalía Cid, Javier Carrasco, Władysław Wieczorek, Maria Forsyth, Michel Armand, María Martínez‐Ibañez   +10 more
wiley   +1 more source

Beyond Electrostatics: Anion‐π+ Orbital Hybridization Underpins High‐Performance Chloride Storage in Poly(arylamine) Organic Cathodes

Advanced Science, Volume 13, Issue 48, 28 August 2026.
The fundamental nature of anion storage in p‐type organic cathodes is elucidated using rigid poly(arylamine) frameworks. This study reveals a hybrid covalent‐ionic mechanism for anion‐π+ interactions, driven by synergistic orbital hybridization and electrostatic attraction.
Tiantian She, Jiena Weng, Jie Wang, Qiao Xi, Yangyang Zhang, Zijie Zhang, Zongqiong Lin, Wei Huang   +7 more
wiley   +1 more source

Creating a Masterpiece. The Road to (and Beyond) Woodward and Hoffmann's 1969 Angewandte Chemie Treatise

The Chemical Record, Volume 26, Issue 8, August 2026.
This publication describes how R. B. Woodward and Roald Hoffmann crafted their masterpiece publications. Illustrations include Woodward's first draft of the famous “Violations There are none. Nor can violations be expected of so fundamental a principle of maximum bonding.” Original but discarded text shows the stepwise paths toward the W‐H masterpieces.
Jeffrey I. Seeman
wiley   +1 more source

A Dislocation Perspective on Strength and Toughness in Ceramics

Advanced Engineering Materials, Volume 28, Issue 14, 22 July 2026.
Dislocations in ceramics enjoy a long but yet under‐appreciated history. The three research waves for dislocations in ceramics highlight the topic evolution over the last 90 years. This review focuses on the impact of dislocation on strength and toughness in ceramics.
Xufei Fang
wiley   +1 more source

How Long Is the Coast of Quantum Chemistry? Or, How to Evaluate Density Functional Theory as a Scientific Revolution

Natural Sciences, Volume 6, Issue 3, July 2026.
Within quantum chemistry, density functional theory (DFT) is a revolution. This serves as an example of a multitude of other scientific events, supporting the idea that revolutions are always large, if observed with the appropriate magnification. ABSTRACT Distinguishing scientific revolutions from normal science is a subjective, conflicting matter ...
Sebastian Kozuch
wiley   +1 more source

When Dark States Become Bright: Vibronic Intensity Borrowing in Triplet 2,6‐Dichloro‐4‐Hydroxyphenylnitrene

Journal of Physical Organic Chemistry, Volume 39, Issue 7, July 2026.
Irradiation of 4‐azido‐2,6‐dichlorophenol in cryogenic matrices generates triplet 2,6‐dichloro‐4‐hydroxyphenylnitrene. Vibronically structured absorption enables extension of a formally forbidden transition into the visible region (up to 500 nm). Analyses based on NICS(1.7)zz, ACID, HOMA, MCI, and spin density reveal magnetically induced ring currents ...
Dharma Raj Joshi, Anindya Borah, Dmitrii Govorov, Trevor Henry, Bruce S. Ault, Anna D. Gudmundsdottir   +5 more
wiley   +1 more source

The FAKE method of molecular orbital calculations

, 1980
The FAKE method of semiempirical molecular orbital calculation is described and illustrated for representative compounds of H, C, N, O, and F. The method is of extended Hückel type, but it includes neighbor charge effects and uses exactly calculated ...
Delhalle, Joseph, TRAUTWEIN, [No Value], HARRIS, [No Value]   +2 more
core   +1 more source

A molecular Debye-Hückel theory and its applications to electrolyte solutions: The size asymmetric case [PDF]

, 2017
A molecular Debye-Hückel theory for electrolyte solutions with size asymmetry is developed, where the dielectric response of an electrolyte solution is described by a linear combination of Debye-Hückel-like response modes.
Xiao, Tiejen, Song, Xueyu
core  

An analysis of the parameters in the Debye-Hückel theory

, 2022
The Debye-Hückel theory is probably the most widely used option for counting the electrostatic forces in thermodynamic models. This work investigates the effects of the two most important parameters of the Debye-Hückel theory – the size parameters of ...
Lei, Qun, Peng, Baoliang, Sun, Li, Kontogeorgis, Georgios M., Liang, Xiaodong   +4 more
core   +1 more source

Ion‐Pairing and Counterion Effects in Contemporary Photochemistry

Angewandte Chemie Novit, Volume 2, Issue 2, June 2026.
Ion‐pairing and counterion effects have emerged as fundamental yet underexplored determinants of photochemical behavior. Far from inert, counterions, and Coulombic interactions modulate excited‐state dynamics, quenching efficiencies, emission, and catalytic pathways.
Matthias Schmitz, Christoph Kerzig
wiley   +1 more source