Table 20

Figshare2016-01-18 更新2026-04-08 收录

催化机理

计算化学模拟

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https://figshare.com/articles/dataset/Table_20/770934/1 数据链接链接失效反馈

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

创建时间：

2013-08-21

Facile C(sp 2 )/OR Bond Cleavage by Ru or Os

金属有机化学机理

计算化学模拟

Os(H)3ClL2 (L = PiPr3 or PtBu2Me) are shown to be useful “precursors” to “OsHClL2”, which react with vinyl ethers to form first an η2-olefin adduct and then isomerize to the carbenes, OsHCl[CMe(OR)]L2

NIAID Data Ecosystem60

Terahertz spectroscopy of amino acid crystals based on dispersion-correction functional theory

太赫兹光谱分析

计算化学模拟

The terahertz spectra of solid-state amino acids with different polarities were measured by terahertz time-domain spectroscopy and Fourier transform infrared spectroscopy. The measured absorption spec

Figshare2019-12-24 更新30

Acid-Catalyzed Oxidative Addition of a C–H Bond to a Square Planar d8 Iridium Complex

C-H键活化

催化机理

While the addition of C–H bonds to three-coordinate Ir(I) fragments is a central theme in the field of C–H bond activation, addition to square planar four-coordinate complexes is far less precedented

Figshare2016-02-17 更新20

PE - A/E - Sc-Endo - C3-Exo - SePh-Endo - No Solvent

催化机理

立体选择性计算

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

Figshare2013-11-01 更新40

Mechanism of N–N Bond Formation by Transition Metal–Nitrosyl Complexes: Modeling Flavodiiron Nitric Oxide Reductases

酶催化机制

计算化学模拟

Nitric oxide (NO) has a number of important biological functions, including nerve signaling transduction, blood pressure control, and, at higher concentrations, immune defense. A number of pathogenic

Figshare2018-04-02 更新20

Table 20

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