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On the mechanism of hydrogen transfer in the HSCH(O) reversible arrow (S)CHOH and HSNO reversible arrow SNOH reactions
(The American Chemical Society, 2005)
Dynamical calculation of direct muon-transfer rates from thermalized muonic hydrogen to C6+ and O8+
(2000-08-01)
Moun-transfer reactions from muonic hydrogen to carbon and oxygen nuclei employing a full quantum-mechanical few-body description of rearrangement scattering were studied by solving the Faddeev-Hahn-type equations using ...
Dynamical calculation of direct muon-transfer rates from thermalized muonic hydrogen to C6+ and O8+
(2000-08-01)
Moun-transfer reactions from muonic hydrogen to carbon and oxygen nuclei employing a full quantum-mechanical few-body description of rearrangement scattering were studied by solving the Faddeev-Hahn-type equations using ...
Understanding the Physics and Chemistry of Reaction Mechanisms from Atomic Contributions: A Reaction Force Perspective
(AMER CHEMICAL SOC, 2012)
Studying chemical reactions involves the knowledge of the reaction mechanism. Despite activation barriers describing the kinetics or reaction energies reflecting thermodynamic aspects, identifying the underlying physics ...
Ruthenium(II)-carbonyl complexes containing two N-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions
(Wiley-Blackwell, 2018)
The reaction of 2-aminonicotinaldehyde with 2- or 4-methoxyacetophenone in basic media leads to the new ligands 2-(4-methoxyphenyl)-1,8-naphthyridine and 2-(2-methoxyphenyl)-1,8-naphthyridine, respectively, in high yield. ...
Insights into the mechanism of an S N2 reaction from the reaction force and the reaction electronic flux
(American Chemical Society, 2012)
The mechanism of a simple S N2 reaction, viz; OH - + CH 3F = CH 3OH + F - has been studied within the framework of reaction force and reaction electronic flux. We have computationally investigated three different types of ...
Evaluation of hydrogen transfer in FCC catalysts. A new approach for cyclohexene as a test reactant
(Elsevier, 2000-02)
The conversion of cyclohexene over different commercial FCC catalysts in a batch fluidized-bed reactor under very short contact times at 300°C, was described by means of a simple lumped kinetic model that accounted for the ...
A model for the Heyrovsky reaction as the second step in hydrogen evolution
(Royal Society of Chemistry, 2011-04)
On a number of electrodes the second step in hydrogen evolution is the reaction of a proton with an adsorbed hydrogen intermediate to form a molecule, which is also known as the Heyrovsky reaction. We have developed a ...