Results 61 to 70 of about 469,475 (238)
, 2016 Metal Fluorides Form Strong Hydrogen Bonds and Halogen Bonds: Measuring Interaction Enthalpies and Entropies in ...
Stefano Libri (2433487) +3 more
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Using beryllium bonds to change halogen bonds from traditional to chlorine-shared to ion-pair bonds [PDF]
, 2015 Ab initio MP2/aug′-cc-pVTZ calculations have been carried out to investigate the structures, binding energies, and bonding characteristics of binary complexes HFBe:FCl, R2Be:FCl, and FCl:N-base, and of ternary complexes HFBe:FCl:N-base and R2Be:FCl:N ...
Elguero, José +3 more
core +1 more source
Advanced Materials, EarlyView.Associating a red‐NIR phosphorescent octahedral hexanuclear molybdenum cluster compound with hexaethyleneoxide chains bearing mesogenic units on both ends leads to an emissive hybrid liquid crystal showing mesomorphism on a very unusual temperature range down to −25°C.
Killiann Heinz +11 more
wiley +1 more source
Organic Materials of Tomorrow: Horizons of Artificial Intelligence
Advanced Materials, EarlyView.This review examines machine learning techniques accelerating the discovery of organic semiconductors by linking molecular structure to properties. Key methods include graph neural networks, generative models, and active learning. Applications to organic photovoltaics demonstrate practical impact.
Harold Mena +3 more
wiley +1 more source
Single-Crystal NMR Characterization of Halogen Bonds
, 2019 Oxygen-17-enriched triphenylphosphine oxide and three of its halogen-bonded cocrystals featuring 1,4-diiodotetrafluorobenzene and 1,3,5-trifluoro-2,4,6-triiodobenzene as halogen bond donors have been characterized by 31P and 17O single-crystal NMR ...
Bulat Gabidullin (4455532) +2 more
core +2 more sources
Phase‐Pure and Size‐Tunable Tin Halide Perovskite Quantum Dots
Advanced Materials, EarlyView.A trioctylphosphine oxide modulated protocol allows for the synthesis and study of the optical properties of a broad library of tin halide perovskite quantum dots across multiple A‐ and X‐site compositions with precise size tuning while eliminating unwanted 2D phases.
Ole F. Dressler +7 more
wiley +1 more source
Crystal structure of 7-iodo-4-oxo-4H-chromene-3-carbaldehyde
Acta Crystallographica Section E: Crystallographic Communications, 2016 In the title compound, C10H5IO3, an iodinated 3-formylchromone derivative, the non-H atoms are essentially coplanar (r.m.s. deviation = 0.0344 Å), with the largest deviation from the least-squares plane [0.101 (3) Å] being found for the formyl O atom. In
Yoshinobu Ishikawa
doaj +1 more source
Can Elastomers Combine Stiffness, Toughness and Fatigue Resistance?
Advanced Materials, EarlyView.This review studies how the molecular and macroscopic architecture of elastomers influence their mechanical properties including: stiffness, stretchability, toughness, fatigue resistance, and damping behavior. By linking the structure to performance, it proposes design principles for advanced elastomeric systems that combine mechanical properties ...
Eva Baur, Esther Amstad
wiley +1 more source
ChemistryOpen, 2019 The halogen bond has previously been explored as a versatile tool in crystal engineering and anion coordination chemistry, with mechanochemical synthetic techniques having been shown to provide convenient routes towards cocrystals. In an effort to expand
Vincent M. Morin +4 more
doaj +1 more source
Advanced Materials, EarlyView.Stepwise dual‐side functionalization creates covalent Janus graphene with chemically and electrostatically asymmetric interfaces. The resulting nonadditive surface‐potential response and pronounced charge‐transport modulation demonstrate a versatile route for tailoring the electronic properties of graphene.
Shishi Liu +14 more
wiley +1 more source