PE - S/E - Sc-Endo - C2-Endo - SePh-Endo - CH2Cl2

Figshare2016-01-18 更新2026-04-08 收录

催化机理

计算化学模拟

数据链接：

https://figshare.com/articles/dataset/PE_S_E_Sc_Endo_C2_Endo_SePh_Endo_CH2Cl2/766318/1 数据链接链接失效反馈

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资源简介：

Calculated as part of PhD thesis titled 'Mechanistic Insights into Organocatalysis', Imperial College London, 2013.

创建时间：

2013-11-01

Cp*Ir(III)-Catalyzed Mild and Broad C−H Arylation of Arenes and Alkenes with Aryldiazonium Salts Leading to the External Oxidant-Free Approach

C−H芳基化反应

催化机理

Reported herein is the development of Cp*Ir(III)-catalyzed direct C−H arylation of arenes and alkenes using aryldiazonium tetrafluoroborates, the use of which as an aryl precursor and also as an oxid

NIAID Data Ecosystem20

X-ray and Density Functional Theory Structural Study of 1,3,5,7,9-Penta- tert -butylcorannulene, C 40 H 50

化学结构表征

计算化学模拟

The first X-ray structural characterization of an alkyl-substituted corannulene, namely, 1,3,5,7,9-penta-tert-butylcorannulene (C40H50), has been accomplished. The addition of bulky tert-butyl groups

NIAID Data Ecosystem20

"Teoria Frattale della Stabilità Molecolare"

分子稳定性

计算化学模拟

Questa pubblicazione presenta la **Teoria Frattale della Stabilità Chimica**, un modello rivoluzionario che quantifica la stabilità molecolare attraverso la dimensione frattale (D) della densità elett

NIAID Data Ecosystem10

On the [2+2] Cycloaddition of 2-Aminothiazoles and Dimethyl Acetylenedicarboxylate. Experimental and Computational Evidence of a Thermal Disrotatory Ring Opening of Fused Cyclobutenes

有机反应机理

计算化学模拟

The reaction of 2-(phenylamino)- and 2-(dimethylamino)thiazoles with dimethyl acetylenedicarboxylate led unexpectedly to dimethyl 6-(phenylamino)- and 6-(dimethylamino)-3,4-pyridinedicarboxylates. Tho

NIAID Data Ecosystem20

Basic Fortran code used to generate the theoretical palladium distributions.

计算化学模拟

材料理论分布

Basic Fortran code used to generate the theoretical palladium distributions.

Figshare2025-05-19 更新10