Europe PMC

Ab initio and transition state theory study of the OH + HO2 → H2O + O2(3Σg-)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2.

Reactions of hydroxyl (OH) and hydroperoxyl (HO2) are important for governing the reactivity of combustion systems. We performed post-CCSD(T) ab initio calculations at the W3X-L//CCSD = FC/cc-pVTZ ...
Nature

Benzotrifuran-Based Covalent Organic Frameworks for Artificial Photosynthesis of H2O2 from H2O, O2, and Sunlight

The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...
GitHub

chem.inp

OH+H2=H+H2O 2.14E+08 1.52 3449.0 !MARINOV 1995A O+OH=O2+H 2.02E+14 -0.4 0.0 !MARINOV 1995A O+H2=OH+H 5.06E+04 2.67 6290.0 !MARINOV 1995A H+O2(+M)=HO2(+M) 4.52E+13 0.0 0.0 !MARINOV 1995A H+HO2=OH+OH ...