Add to ORKGThe intersecting-state model is applied to calculate the energy barriers and rates of atom transfers, SN2 reactions, proton transfers and electron transfers, including electron transfer at the metal-electrolyte interface. The calculated rates are usually within one order of magnitude of the experimental ones. These applications of the model reveal the main factors that influence the rates of these chemical reactions. The structural and electronic properties of reactants that are used in the calculations are the reaction energy, the hypervalency at the transition state, the bond lengths and for constants of the reactive bonds.http://www.sciencedirect.com/science/article/B6TGS-435M5SD-3/1/77dc7dce5b87eab97a0480c42652da0
International audienceIn coordination chemistry, many reactions involve several electronic states, i...
We consider a molecular conduction junction that comprises a redox molecule bridging between metal e...
The mechanism o f electron transfer in solution and at electrodes is described. A theoretical analy...
The intersecting-state model is applied to calculate the energy barriers and rates of atom transfers...
A model is considered for S_N2 reactions, based on two interacting states. Relevant bond energies, s...
The intersecting-state model (ISM) is applied to the calculation of absolute rate constants for prot...
There is general agreement that the two most important factors determining electron transfer rates i...
The mechanism for electron transfer is discussed in terms of an atomic motion on a potential-energy ...
Fundamental reactivity concepts of relevance to the reactivity of transition metal surfaces are revi...
On the way from reactants to products, a chemical reaction passes through what chemists term the tra...
The model used for electron-transfer kinetics between the electronic charge carriers of a semiconduc...
A simple relation, ΔF* = (λ(1 + Δ/λ)^2)/4, derived originally for weak-overlap electron transfers, i...
Electron Transfer Reactions deals with the mechanisms of electron transfer reactions between metal i...
The Anderson-Newns model is generalized and applied to investigate several processes of heterogeneou...
We review studies of molecular interactions and chemical reactions at metal surfaces, emphasizing pr...
International audienceIn coordination chemistry, many reactions involve several electronic states, i...
We consider a molecular conduction junction that comprises a redox molecule bridging between metal e...
The mechanism o f electron transfer in solution and at electrodes is described. A theoretical analy...
The intersecting-state model is applied to calculate the energy barriers and rates of atom transfers...
A model is considered for S_N2 reactions, based on two interacting states. Relevant bond energies, s...
The intersecting-state model (ISM) is applied to the calculation of absolute rate constants for prot...
There is general agreement that the two most important factors determining electron transfer rates i...
The mechanism for electron transfer is discussed in terms of an atomic motion on a potential-energy ...
Fundamental reactivity concepts of relevance to the reactivity of transition metal surfaces are revi...
On the way from reactants to products, a chemical reaction passes through what chemists term the tra...
The model used for electron-transfer kinetics between the electronic charge carriers of a semiconduc...
A simple relation, ΔF* = (λ(1 + Δ/λ)^2)/4, derived originally for weak-overlap electron transfers, i...
Electron Transfer Reactions deals with the mechanisms of electron transfer reactions between metal i...
The Anderson-Newns model is generalized and applied to investigate several processes of heterogeneou...
We review studies of molecular interactions and chemical reactions at metal surfaces, emphasizing pr...
International audienceIn coordination chemistry, many reactions involve several electronic states, i...
We consider a molecular conduction junction that comprises a redox molecule bridging between metal e...
The mechanism o f electron transfer in solution and at electrodes is described. A theoretical analy...