13 datasets

NCL Data2026 · Crystal structure

<p>Using the microwave-assisted method, novel Fe₃O₄/Zn-metal organic framework magnetic nanostructures were synthesized. The crystallinity, thermal stability, adsorption/desorption isotherms, morphology/size distribution, and magnetic hysteresis of synthesized Fe₃O₄/Zn-metal organic framework magnetic nanostructures were characterized by XRD patterns, TG

figshare + Loughborough Research Repository + GRANTS Data + UP Research Data Repository2026 · Astronomical catalogue

<p dir="ltr">The Independent AI4S Verification of Zhongheng Yu’s Monograph</p><p dir="ltr">AI4OrgChem is an AI for Science (AI4S) Agent for independent computational reconstruction and evidence assessment of counter-traditional propositions in organic structure theory. The project was motivated by Zhong-Heng Yu’s monograph, Questioning Fundamental Principles of Organic Chemistry （<a href="https://

ZivaHub + Deakin Research Online + DMU Figshare + HKU DataHub + Swinburne Figshare + DaYta Ya Rona + SUNScholarData2026 · dataset

<p dir="ltr">The Independent AI4S Verification of Zhongheng Yu’s Monograph</p><p dir="ltr">AI4OrgChem is an AI for Science (AI4S) Agent for independent computational reconstruction and evidence assessment of counter-traditional propositions in organic structure theory. The project was motivated by Zhong-Heng Yu’s monograph, Questioning Fundamental Principles of Organic Chemistry （<a href="https://

ZivaHub2026 · dataset

<p dir="ltr">Surfactants are surface-active compounds. Their ability to associate with both hydrophobic and hydrophilic compounds contributes to their widespread use in various settings. Due to their ubiquity in commercial and consumer products, the end-of-life of surfactants has become a significant environmental issue. While most surfactant have hydrophobic tails that are biodegradable, most sur

HKU DataHub + figshare + Loughborough Research Repository2026 · Astronomical catalogue

This repository provides: 1. UniTS-Lib dataset; 2. processed [3+2] DA reaction TS dataset; 3. Transition1x dataset; 4. model weight checkpoint files for UniTS-Gen

figshare + Loughborough Research Repository2026 · Astronomical catalogue

<p dir="ltr">Dataset in support of the paper "Ferrier Rearrangement Intermediates Featuring Aliphatic Acyl Protecting Groups"</p>

RADAR + RADAR4Memory2026 · dataset

This dataset contains the raw temperature dependent fluorescence decays measured using a FLS980 (Edinburgh Instruments) with the F980 software, the raw magnetic field dependent fluorescence- and CSS-Decays measured using a self-build ns-TA-spectrometer based on a LP920 setup (Edinburgh Instruments) and the raw fs-transient absorption data measured using a Helios pump-probe spectrometer (Ultrafast

RADAR + RADAR4Memory2026 · dataset

This dataset contains the raw temperature dependent fluorescence decays measured using a FLS980 (Edinburgh Instruments) with the F980 software, the raw magnetic field dependent fluorescence- and CSS-Decays measured using a self-build ns-TA-spectrometer based on a LP920 setup (Edinburgh Instruments) and the raw fs-transient absorption data measured using a Helios pump-probe spectrometer (Ultrafast

RADAR + RADAR4Memory2025 · dataset

This datasets contains the raw fs-TA datasets obtained by measurements using a Helios pump-probe spectrometer (Ultrafast Systems), the transient data obtained by ns-TA spectroscopy using an inhouse build ns-TA spectrometer based on a LP920 setup (Edinburgh Instruments) with an extension that allows for magnetic field dependent measurements up to B = 10 T. The LP920 data was deconvoluted using the

RADAR + RADAR4Memory2025 · dataset

This dataset contains DFT and TD-DFT output files on neutral diradicals, cationic mixed valence compound and anionic mixed valence compounds discussed in the publication "Electron Transfer and Exchange Interaction in Mixed Valence Radical Anions, Radical Cations, and Neutral Diradicals Derived from Bridged Bis-Triarylmethyl Systems".

RADAR + RADAR4Memory2024 · dataset

This dataset contains (TD-)DFT calculations (Gaussian 09 output files) for a series of 2,7-fluorene bridged triarylamine dimers in their neutral-, monoradicalic- and diradicalic state. The dataset is used in a print publication from the Lambert group with the title “Tuning Electron Transfer Coupling and Exchange Interaction in Bis-triarylamine Radical Cations and Dications by Bridge Electron Densi

RADAR + RADAR4Memory2024 · dataset

This dataset contains the raw datasets measured on a Helios pump-probe spectrometer (Ultrafast Systems) and an inhouse built transient absorption spectrometer based on a LP920 setup (Edinburgh Instruments) which in an extended version allows for magnetic field dependent measurements. The LP920 data was deconvoluted using the L900 software (Edinburgh Instruments).

RADAR + RADAR4Memory2023 · dataset

This dataset contains (TD-)DFT calculations for a series of N-Tolanyl-phenochalcogenazines PZX in neutral and radical form with two different geometries. For the radicals, only the DFT geometry optimization is given, while for the neutral forms the TD-DFT calculation is given. The dataset is used in a print publication from the Lambert group with the title “Structure and Photophysics of N-Tolanyl-