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 ...
Europe PMC

Reduction of O2 to H2O2 using Small Polycyclic Molecules

Hydrogen peroxide is an environmentally friendly oxidizing agent that is important in several industries. It is currently produced industrially via the anthrahydroquinone (AHQ) process where O2 reacts ...
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 ...
GitHub

Mitochondrial Beta-Oxidation Reactions That Reduce O2 to H2O2 #791

Current behavior: While working on #634, I noticed a few mitochondrial reactions in which an acyl-CoA was oxidized to a 2-trans-enoyl-CoA (the first step of beta-oxidation) that reduce O2 to H2O2. As ...