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ChemMedChem, ISSN 1860-7179, 05/2018, Volume 13, Issue 9, pp. 860 - 860
The Front Cover shows the effort of three collaborators from Thailand (BIOTEC), Macau (MUST), and Russia (Zelinsky Institute) on the discovery of novel... 
ozonides | cancer | malaria | peroxides | cytotoxicity
Journal Article
Atmosphere, ISSN 2073-4433, 01/2020, Volume 11, Issue 1, p. 100
This contribution presents a comprehensive computational study on the reactions of secondary ozonide (SOZ) with ammonia and water molecules. The mechanisms... 
ammonia | primary ozonide | ozonolysis | secondary ozonide
Journal Article
Organic Letters, ISSN 1523-7060, 07/2006, Volume 8, Issue 15, pp. 3199 - 3201
Ozonolysis of alkenes in the presence of amine N-oxides results in the direct formation of aldehydes. This reaction, which appears to involve an unprecedented... 
CHEMISTRY, ORGANIC | CONVERSION | OZONIDES
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 06/2019, Volume 1185, pp. 361 - 368
Density functional theory based metadynamics simulations of the room temperature ground state free energy surfaces (FES) of a,a-C O /a,a-C O, c,c-C O /c,c-C O,... 
Oxidoannulene | DFT | Ozonide | Carbonyl oxide | Epoxide | MOLECULAR-DYNAMICS | OZONE | CHEMISTRY, PHYSICAL | C70O3 | OZONIDES | OXIDES | C-60
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 15, pp. 8081 - 8091
The gas-phase ozonolysis mechanism of 3-carene is investigated using high level quantum chemistry and kinetic calculations. The reaction follows the Criegee... 
Organic chemistry | Quantum chemistry | Mathematical analysis | Hydroxyl radicals | Ozonides
Journal Article
Nanoscale, ISSN 2040-3364, 01/2019, Volume 11, Issue 16, pp. 8012 - 8019
Oxidative treatment is an important method for the purification and functionalization of carbon nanomaterials. Here we report on the treatment of detonation... 
Nanoparticles | Detonation | Diamonds | Ozone | Nanomaterials | Nanostructure | Ozonides
Journal Article
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, ISSN 0044-2313, 03/2017, Volume 643, Issue 5, pp. 357 - 359
Applying the known procedure for synthesis of alkali metal ozonides, just at a lower temperature, has yielded a new polymorph of rubidium ozonide, -RbO3... 
SODIUM OZONIDE | Ionic ozonides | CRYSTAL-STRUCTURE DETERMINATION | POTASSIUM OZONIDE | Rubidium | KO3 | Polymorphism | Crystal structure | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
Zeitschrift für anorganische und allgemeine Chemie, ISSN 0044-2313, 03/2017, Volume 643, Issue 5, pp. 357 - 359
Applying the known procedure for synthesis of alkali metal ozonides, just at a lower temperature, has yielded a new polymorph of rubidium ozonide, α‐RbO3 [P21;... 
Ionic ozonides; Rubidium; Polymorphism; Crystal structure
Journal Article
Fullerenes, Nanotubes and Carbon Nanostructures, ISSN 1536-383X, 03/2017, Volume 25, Issue 3, pp. 151 - 155
When dissolved in ethyl oleate secondary ozonide, both C 60 and C 70 fullerenes undergo a series of epoxidation reactions. The pseudofirst-order kinetic rate... 
ozonides | activation energy | fullerenes | epoxidation | kinetics
Journal Article
Organic Letters, ISSN 1523-7060, 03/2011, Volume 13, Issue 5, pp. 984 - 987
Several important types of ozonolysis reactions have been performed in a continuous flow device that is able to perform both the ozonolysis and quenching steps... 
ALCOHOLS | ALKENES | MECHANISM | MICROREACTORS | ORGANIC-COMPOUNDS | CHEMISTRY, ORGANIC | OZONIDES | OZONE OXIDATION
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 06/2019, Volume 1185, pp. 361 - 368
Density functional theory based metadynamics simulations of the room temperature ground state free energy surfaces (FES) of a,a-C70O3/a,a-C70O,... 
Oxidoannulene | DFT | Ozonide | Carbonyl oxide | Epoxide
Journal Article
14. Formation of Criegee intermediates and peroxy acids: a computational study of gas-phase 1,3-cycloaddition of ozone with catechol (Electronic supplementary information (ESI) available: Coordinates for optimized geometries of reactants, pre-reactive complexes, transition states and products for the 1,3 cycloaddition of ozone with catechol. IRC paths for the steps involved in 1,3 cycloaddition of ozone with catechol (Fig. S1–S4). Scan for TS search (Fig. S5). The forward and backward energy barriers for the formation of primary ozonides from endo and exo addition of ozone to catechol (Table S1). Absolute energies, zero point energies (ZPE), thermal correction to energy (ΔE), thermal correction to enthalpy (ΔH), thermal correction to Gibbs free energy (ΔG) in atomic units, total partition function (Q) of stable conformers, transition states and pre-reactive complexes and imaginary frequencies of transition states (Im ω in cm−1) obtained from B3LYP/6-311+G(2df,2p) and MN15/6-311+G(2df,2p) methods (Tables S2 and S3). Energies (in a.u.) of conformers, transition states and pre-reactive complexes calculated at CCSD(T)/cc-pVXZ (X = 2, 3) and the corresponding T1 diagnostics values and the CCSD(T)/CBS limit for the structure obtained from the B3LYP/6-311+G(2df,2p) method (Table S4). Zero-point corrected relative energies (kJ mol−1) of the reactants, pre-reactive complexes, transition states, intermediates, and products calculated by the B3LYP/6-311+G(2df,2p) and CCSD(T)/CBS//B3LYP/6-311+G(2df,2p) methods (Table S5). Forward energy barriers (EF), reverse energy barriers (ER) in kJ mol−1 for the individual reactions involved in the 1,3 cycloaddition of ozone with catechol (Table S6). See DOI: 10.1039/c9cp01312a)
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2019, Volume 21, Issue 27, pp. 14589 - 14597
A detailed theoretical investigation of gas-phase 1,3-cycloaddition of ozone with catechol is presented to explore the discrepancies in previous theoretical... 
Organic chemistry | Gibbs free energy | Cycloaddition | Rate constants | Mathematical analysis | Enthalpy | Peracids | Ozone | Catechol | Ozonides
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 7/2012, Volume 14, Issue 3, pp. 1391 - 14
Criegee biradicals, i.e. , carbonyl oxides, are critical intermediates in ozonolysis and have been implicated in autoignition chemistry and other hydrocarbon... 
ZWITTERIONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DENSITY-FUNCTIONAL GEOMETRIES | CHEMISTRY | OZONE | DECOMPOSITION | CHEMISTRY, PHYSICAL | SECONDARY OZONIDES | GAS-PHASE OZONOLYSIS | CARBONYL OXIDES | FORMALDEHYDE | SIMPLE ALKENES
Journal Article
Organic Process Research & Development, ISSN 1083-6160, 01/2011, Volume 15, Issue 1, pp. 91 - 97
Two continuous apparatuses were designed that are capable of safely scaling the highly energetic ozonolysis reaction to multikilogram scale where flow... 
CHEMISTRY, ORGANIC | OZONIDES | CHEMISTRY, APPLIED | MECHANISM
Journal Article
Physical Chemistry Chemical Physics : PCCP, ISSN 1463-9076, 01/2018, Volume 20, Issue 38, pp. 24735 - 24743
Furan and its methyl substituents, as promising alternative and renewable fuels and feedstock in the chemical industry, could be emitted to the atmosphere in a... 
Organic chemistry | Carbonyl groups | Quantum chemistry | Mathematical analysis | Furans | Chemical industries | Ozonides | Dioxirane | Radicals | Carbonyls
Journal Article
Ozone: Science & Engineering, ISSN 0191-9512, 09/2015, Volume 37, Issue 5, pp. 431 - 440
Highly pure ethyl oleate and ethyl elaidate were ozonized to their secondary ozonides (respectively EO-SOZ and EE-SOZ). The decomposition enthalpies of EO-SOZ... 
Thermochemistry | Ethyl Elaidate Ozonide | Photolysis | DSC | ESR | FT-IR | Ethyl Oleate Ozonide | Decomposition Enthalpy | OZONATION | STABILITY | OZONOLYSIS | SECONDARY OZONIDES | FATTY ACIDS | ENVIRONMENTAL SCIENCES | OZONIZED SUNFLOWER OIL | ENGINEERING, ENVIRONMENTAL | SPECTROSCOPIC CHARACTERIZATION | OZONE | PEROXIDE VALUE | METHYL-ESTERS
Journal Article
Angewandte Chemie - International Edition, ISSN 1433-7851, 2017, Volume 56, Issue 33, pp. 9715 - 9718
Although a terminal oxyl species bound to certain metal ions is believed to be the intermediate for various oxidation reactions, such as O-O bond generation in... 
ozonides | MFI zeolites | vibronic transitions | zinc | oxyl species | COMPLEX | STATES | EPR | ZINC-OXIDE | NITRIDE | CHEMISTRY, MULTIDISCIPLINARY | P4O18 | ELECTRONIC-STRUCTURE
Journal Article
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