Archive of work produced using the resources of the Imperial College High Performance Computing Service.

NIAID Data Ecosystem80

Dual Ligand Enabled Nondirected C–H Chalcogenation of Arenes and Heteroarenes

This folder /final_xyz_structures/ contains the DFT-optimized geometries (in .xyz format together with the gas-phase energy, E) accompanying the paper "Dual Ligand Enabled Nondirected C–H Chalco

NIAID Data Ecosystem30

SME - S/Z - Ap - C2-Endo-HC - No Solvent

催化机理

计算化学模拟

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

Figshare2013-11-01 更新20

Gaussian Job Archive for C26H30O7

资源简介：

Gaussian Job Archive for C26H30O7

资源简介：

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