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Development of prediction models for the reactivity of organic compounds with ozone in aqueous solution by quantum chemical calculations: Role of delocalized and localized molecular orbitals

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Development of prediction models for the reactivity of organic compounds with ozone in aqueous solution by quantum chemical calculations: Role of delocalized and localized molecular orbitals

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Scanning Tunneling Microscopy for Molecules: Effects of Electron Propagation into Vacuum

Oxidation processes and me

The Mn(VII)-H2O2 oxidation process: Abatement of electron-deficient N-containing organic compounds

Microbial genome collection of aerobic granular sludge cultivated in sequencing batch reactors using different carbon source mixtures

Partial discharge localization in power transformer tanks using machine learning methods

In Situ Synthesis of CuxO/N Doped Graphdiyne with Pyridine N Configuration for Ammonia Production via Nitrate Reduction

Monitoring an Emergent Pathogen at Low Incidence in Wastewater Using qPCR: Mpox in Switzerland

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Efficient and insightful descriptors for representing molecular and material space

Controlling On-Surface Photoactivity: The Impact of π-Conjugation in Anhydride-Functionalized Molecules on a Semiconductor Surface

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

Optimal regimes for algorithm-assisted human decision-making

Novel Alkynylation Methods through the Combination of Hypervalent Iodine Reagents and Alkynyl-trifluoroborate Salts

Novel theory and potential applications of central diastolic pressure decay time constant

The hindbrain and cortico-reticular pathway in adolescent idiopathic scoliosis

TIC-TAC: A Framework for Improved Covariance Estimation in Deep Heteroscedastic Regression

Characterization of low-temperature plasmas generated by dielectric barrier discharges for bacterial inactivation

Nano onions based on an amphiphilic Au3(pyrazolate)3 complex

Molecular hypergraph neural networks