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Experimental Data to the publication "Bridging Stability and Reactivity – Nov...

B2FIND2026-05-02 收录

反应机理

分子几何结构

数据链接：

https://b2find.eudat.eu/dataset/ae2ec110-d5a6-5159-813b-f046a89188f0 数据链接链接失效反馈

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资源简介：

The geometry of all stationary points were depostied as mol files.

应用场景：

核磁共振光谱

反应机理

Method: 1 H NMR spectra was used to detect the conformation of the hydrolyzates. The mixture of samples was 500 μl, the experimental group contained 30 μg enzyme, water-soluble substrate wit

DataCite Commons2023-01-06 更新80

Data archive of "Photocatalytic dehydration of 1-aryl-1,2-ethanediols to methyl ketones via HAT-initiated spin-center shift"

有机合成光催化

反应机理

Herein, we report a photocatalytic redox-neutral dehydration of native aryl-1,2-ethanediols to aryl methyl ketones. This mild reaction can be realized with a single organic photocatalyst and yields wa

DataCite Commons2024-07-18 更新40

Construction of [6-5-5-6-6] Pentacyclic Skeleton via a Phosphine-Catalyzed Domino Reaction and Mechanism Study

膦催化多米诺反应

反应机理

A novel phosphine-promoted domino reaction between thioaurone or aurone derivatives and MBH carbonate is described. A wide range of [6-5-5-6-6] pentacyclic compounds was prepared efficiently. Interest

NIAID Data Ecosystem40

THEORETICAL RESEARCH ON THE MULTI-CHANNEL REACTION MECHANISM AND KINETICS OF HNCS WITH OH-

反应机理

动力学

We presented a theoretical study on the detailed reaction mechanism and kinetics of the HNCS molecule with the OH-. The barrierless minimum energy path and the most favorable entrance channel have bee

DataCite Commons2020-08-31 更新70

IRC_isoR_Lactone_1 (IRC)

量子化学计算

反应机理

Gaussian Calculation

DataCite Commons2020-07-27 更新40