Results 191 to 200 of about 115,739 (285)

Crystal structure of 2-[3,5-bis(4-octyloxyphenyl)pyrazol-1-yl]pyridine, C36H47N3O2

open access: yesZeitschrift für Kristallographie - New Crystal Structures, 2005
Torralba M. C.   +4 more
doaj   +1 more source

The Electronic Spin State of Diradicals Obtained from the Nuclear Perspective: The Strange Case of Chichibabin Radicals

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise   +7 more
wiley   +1 more source

Charge State Influence on Stability and Isomerism in Dehydrogenated PAHs: Insights from Anthracene, Acridine, and Phenazine

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The ionization of anthracene, acridine, and phenazine has been explored, along with the removal of one and two hydrogen atoms, to provide valuable information for astrochemists and to understand the behavior of the resulting structures and their electronic reorganization. Abstract In this study, we systematically explored the stability and isomerism of
Khaldia Zghida   +3 more
wiley   +1 more source

Computational Strategies for Predicting Excited‐State Energies in Eu3+ Down‐Shifting Spectral Converters for Photovoltaic Devices

open access: yesChemPhysChem, EarlyView.
A computational strategy to compute the energy of the triplet excited state in europium‐based coordination complexes is presented. This method allows for in silico screening of new systems with can be used as photosensitizers in solar cell‐based technologies.
Laura Sánchez‐Muñoz   +3 more
wiley   +1 more source

On the Vapor Pressures, Phase Transitions, and Solid‐State Fluorescence of 2‐(2‐Hydroxyphenyl)benzoxazole and 2‐(2‐Hydroxyphenyl)benzothiazole

open access: yesChemPhysChem, EarlyView.
Benzazoles 2‐(2‐hydroxyphenyl)benzothiazole and 2‐(2‐hydroxyphenyl)benzoxazole exhibit tunable optoelectronic properties via excited‐state intramolecular proton transfer. Combining thermogravimetry (TG‐DSC), vapor pressure measurements, and fluorescence spectroscopy, how sulfur (S) versus oxygen (O) substitution dictates their stability, sublimation ...
José M. Silva Ferraz   +6 more
wiley   +1 more source

Correction to "AI-Driven <i>De Novo</i> Design and Development of Nontoxic DYRK1A Inhibitors". [PDF]

open access: yesJ Med Chem
García EG   +9 more
europepmc   +1 more source

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