Articles with "molecular alignment" as a keyword



Molecular Alignment of Homoleptic Iridium Phosphors in Organic Light-Emitting Diodes.

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Published in 2021 at "Advanced materials"

DOI: 10.1002/adma.202102882

Abstract: The orientation of facial (fac) tris-cyclometalated iridium complexes in doped films prepared by vacuum deposition is investigated by altering the physical shape and electronic asymmetry in the molecular structure. Angle-dependent photoluminescence spectroscopy and Fourier-plane imaging… read more here.

Keywords: molecular alignment; fac tris; iridium; organic light ... See more keywords

Super Strong and Tough Hydrogel through Physical Crosslinking and Molecular Alignment.

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Published in 2019 at "Biomacromolecules"

DOI: 10.1021/acs.biomac.9b01223

Abstract: Hydrogels are attracting increasing attention due to their potential use in various fields. However, most of the existing hydrogels have limitations in either dissipating mechanical energy or maintaining high stretchability under deformation, thus don't possess… read more here.

Keywords: high mechanical; physical crosslinking; molecular alignment; alignment ... See more keywords

ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances

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Published in 2025 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.5c01322

Abstract: Molecular alignment and 3D similarity are crucial tasks in computational drug discovery, enabling applications such as virtual screening and pharmacophore modeling. ROSHAMBO, an open-source package for optimizing molecular alignment using Gaussian volume overlaps, demonstrated near-state-of-the-art… read more here.

Keywords: virtual screening; chemical libraries; molecular alignment; alignment ... See more keywords

Molecular alignment in degenerated dissociation channels in strong laser fields

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Published in 2017 at "Scientific Reports"

DOI: 10.1038/s41598-017-02738-5

Abstract: In this work, we study strong-field molecular alignment in, for the first time, degenerated channels following the same charged states of molecules. By measuring the angular distribution of dissociation fragments from two degenerated N+ + N+ channels… read more here.

Keywords: molecular alignment; laser; degenerated channels; dissociation ... See more keywords

Vapor-assisted room temperature nanoimprinting-induced molecular alignment in patterned poly(3-hexylthiophene) nanogratings and its stability during thermal annealing

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Published in 2017 at "RSC Advances"

DOI: 10.1039/c7ra07538c

Abstract: Vapor-assisted imprinting technology has been well explored to have good potential for practical application to fabricate topographical nanostructures of polymer film. Herein, we demonstrated that the poly(3-hexylthiophene) (P3HT) nanograting topography can be excellently fabricated via… read more here.

Keywords: molecular alignment; poly hexylthiophene; temperature; alignment ... See more keywords

Manipulating Molecular Alignment: Organoselenium Radical Cations with Tailored Π-Stacking Architectures

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Published in 2025 at "Inorganic Chemistry Frontiers"

DOI: 10.1039/d5qi01615k

Abstract: Radicals featuring π-conjugated systems have garnered extensive attention due to their intriguing structures and unique physicochemical properties. However, open-shell polycyclic aromatic hydrocarbons (PAHs) with columnar stacking architectures remain scarce. Herein,... read more here.

Keywords: stacking architectures; radical cations; molecular alignment; manipulating molecular ... See more keywords

Effect of carbon dots on tuning molecular alignment, dielectric and electrical properties of a smectogenic cyanobiphenyl-based liquid crystal material

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Published in 2024 at "Journal of Physics D: Applied Physics"

DOI: 10.1088/1361-6463/ad4a84

Abstract: Here, we demonstrate the effect of dispersing organosoluble carbon dots (CDs, ∼7–8 nm) on tuning the molecular alignment, dielectric and electrical properties of smectic A (SmA) and nematic (N) mesophases of a thermotropic smectogenic LC… read more here.

Keywords: carbon dots; alignment; molecular alignment; alignment dielectric ... See more keywords
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Field-free molecular alignment of carbon dioxide molecules measured with above-threshold ionization yields

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Published in 2020 at "Canadian Journal of Physics"

DOI: 10.1139/cjp-2019-0361

Abstract: We present measurements of above-threshold ionization (ATI) of CO2 in a pump-probe experiment where the pump pulse creates a rotational wave packet and the linearly polarized probe pulse generates ... read more here.

Keywords: molecular alignment; threshold ionization; free molecular; alignment carbon ... See more keywords