Results 211 to 220 of about 766,114 (261)
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Chemically induced dynamic nuclear polarization (CIDNP). II. Radical-pair model
Accounts of Chemical Research, 1972R. Lawler
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Modeling of Diffusion-Reaction Processes Involving Geminate Radical Pairs
The Journal of Physical Chemistry A, 2001A Markovian theory is developed to study the efficiency of diffusion-reaction processes involving geminate radical pairs moving on the surface of a catalyst (e.g., zeolite) support. Results obtained for the simplest (lattice) system are corroborated by Monte Carlo calculations, and these are extended to study the effect of system size.
Kozak, John +3 more
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The Journal of Chemical Physics, 2023
This study looked for a way to evaluate the validity of previously suggested models for describing the spin-selective recombination of radical pairs. As an example, for analysis, we used the conventional model, the model by Jones and Hore [Chem. Phys. Lett. 488, 90 (2010)], and the model by Salikhov [Am. J. Phys. Chem. 11, 67 (2022)].
Victor A. Bagryansky +3 more
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This study looked for a way to evaluate the validity of previously suggested models for describing the spin-selective recombination of radical pairs. As an example, for analysis, we used the conventional model, the model by Jones and Hore [Chem. Phys. Lett. 488, 90 (2010)], and the model by Salikhov [Am. J. Phys. Chem. 11, 67 (2022)].
Victor A. Bagryansky +3 more
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Reaction Operators for Radical Pairs. The Exactly Solvable Model
Zeitschrift für Physikalische Chemie, 2016Abstract In the present work, the reaction operator for radical pairs of the main equation of spin chemistry has been modified on the basis of an exactly solvable model. The model contains both the reversible and irreversible transitions.
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Spin dynamics and EPR spectra of consecutive spin-correlated radical pairs. Model calculations
Applied Magnetic Resonance, 1997Time-resolved continuous wave EPR signals of two consecutive radical pairs are found in the linear response limit. Numerical simulations of the EPR observables visualize two characteristic features. First, there is a shift of a phase of quantum beats of the EPR line intensities of the secondary pairs.
Yu. E. Kandrashkin +2 more
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Atomistic Modeling of the Formation of Radical Pairs in Irradiated Amorphous Poly(propylene)
Macromolecules, 1999Radiation-induced radical-pair formation has been modeled in a simple atomistic study, utilizing Molecular Simulations Inc., (MSI) amorphous macrocells, containing the three poly(propylene) tacticities; isotactic (i-PP), syndiotactic (s-PP), and atactic (a-PP).
R. A. Jones +4 more
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Diffusion-model analysis of effective CIDEP distance in solvent-separated radical-ion pair
Applied Magnetic Resonance, 2003The radical pair mechanism (RPM) of chemically induced dynamic electron polarization (CIDEP) is theoretically analyzed to determine what intermolecular separations (r eff) effectively contribute to the CIDEP generated from diffusive, separated radical-ion pairs (RIP) in terms of the chargetransfer interaction in the singlet-triplet ...
Y. Kobori, T. Yago, S. Tero-Kubota
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A general model of electron spin polarization arising from the interactions within radical pairs
The Journal of Chemical Physics, 1990We present a general description of electron spin polarization observed for interacting radical pairs. Unlike previous treatments, both chemically induced dynamic electron polarization and correlated radical pair polarization are included for ST0 mixing.
J. R. Norris +3 more
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ChemInform Abstract: DIFFUSION MODEL ANALYSIS OF CAGE REACTIONS OF CHIRAL RADICAL PAIRS
Chemischer Informationsdienst, 1975AbstractEs wird der Anteil der Racemisierung, der bei der Bildung von Käfigkupplungsprodukten bei der Zersetzung z.B. von S‐(‐)‐1,1‐Diphenyl‐1‐methyl‐azomethan oder (S,S)‐(‐)‐Azo‐bis‐α‐phenyläthan auftritt, untersucht.
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Radical pair mechanism of CIDEP: comparison of the cage and free-diffusion models
Chemical Physics Letters, 1990Abstract A simple analytical expression for chemically induced dynamic electron polarization (CIDEP) in geminate recombination of radicals, undergoing relative diffusion in an inter-radical attractive potential, is obtained. The potential is assumed to have a well in which the cage is formed. The expression for CIDEP is derived by the approximate but
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