Controlled masking and targeted release of redox-cycling ortho-quinones via a C–C bond-cleaving 1,6-elimination

Zenodo2022-05-03 更新2026-04-07 收录

计算化学模拟

氧还原反应

数据链接：

https://zenodo.org/record/6325897 数据链接链接失效反馈

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资源简介：

Electronic energies, entropies, enthalpies, Gibbs free energies, and lowest frequencies of the calculated structures (Energies.xlsx). Fitting of kinetic data (Figure_5ci.opju). Gaussian 16 output files for all calculated structures (Gaussian_output_files.zip).

提供机构：

Yusuf Hamied Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW Cambridge, UK. Instituto de Medicina Molecular João Lobo Antunes, Faculdade de Medicina da Universidade de Lisboa, Av. Prof. Egas Moniz, 1649-028 Lisboa, Portugal; Biologics Engineering, R&D, AstraZeneca, Milstein Building, Granta Park, CB21 6GH Cambridge, UK; Center for Cooperative Research in Biosciences, Basque Research and Technology Alliance, Bizkaia Technological Park, Building 800, 48160 Derio-Bizkaia, Spain; Biologics Engineering, R&D, AstraZeneca, Milstein Building, Granta Park, CB21 6GH Cambridge, UK. Department of Chemical Engineering and Biotechnology, University of Cambridge, Philippa Fawcett Drive, CB3 0AS Cambridge, UK; Center for Cooperative Research in Biosciences, Basque Research and Technology Alliance, Bizkaia Technological Park, Building 800, 48160 Derio-Bizkaia, Spain. Ikerbasque, Basque Foundation for Science, 48013 Bilbao, Spain; Department of Pathology, University of Cambrid

创建时间：

2022-05-03