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• W1963959889 abstract "For some molecular parameters of ion-dipole systems the microcanonical transition state theory (TST), accounting for the conservation of resultant momentum, J, gives simple, analytical equations for the capture rate constants, k1 (E, J) and k1 (E), and for the boundary values of Jmax. Previously such values were only obtained numerically. A new interpretation of the adiabatic TST and the numerical integration by the trajectory method (TC) is offered. To calculate the rate constant of the ion-linear dipole capture by using the statistical adiabatic channel model (SACM) in the region of the Su and Chesnavich plateau the best adiabatic potentials, Vi(r), are those obtained by perturbation theory. The capture parameters calculated by SACM, both those that require and those that ignore the conservation of J, do not differ much from those calculated by TST. The difference becomes appreciable at very low temperatures, starting from a temperature 5 times larger than the characteristic rotational temperature. At such temperatures the SACM capture rate constant calculated under the condition of J conservation is equal to the Langevin rate constant, kL." @default.
• W1963959889 created "2016-06-24" @default.
• W1963959889 creator A5037367301 @default.
• W1963959889 date "1990-05-01" @default.
• W1963959889 modified "2023-10-16" @default.
• W1963959889 title "The influence of the resultant momentum on the ion-dipole capture rate in the region of the Su and Chesnavich plateau: A comparison between the statistical adiabatic channel model and transition state theory" @default.
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• W1963959889 doi "https://doi.org/10.1016/0301-0104(90)89096-9" @default.
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