The assumption of a timescale separation between conformational kinetics and torsional modes, implicit in the rotational isomeric state approximation, is analysed on the basis of asymptotic solutions of a multidimensional diffusion equation.
Conformational dynamics and the rotational isomeric state approximation for alkyl chains
FERRARINI, ALBERTA;NORDIO, PIER LUIGI
1994
Abstract
The assumption of a timescale separation between conformational kinetics and torsional modes, implicit in the rotational isomeric state approximation, is analysed on the basis of asymptotic solutions of a multidimensional diffusion equation.File in questo prodotto:
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