Onsager approach

Note that systems having a dipole moment of 0 will not exhibit solvent effects for the Onsager SCRF model, and therefore Onsager model (SCRF=Dipole) calculations performed on them will give the same results as for the gas phase. This is an inherent limitation of the Onsager approach. 

G. E. Chudinov and D. V. Napolov, Chem. Phys. Lett., 201, 250 (1993). A New Method of Geometry Optimization for Molecules in Solution in the Framework of the Born-Kirkwood-Onsager Approach. 

Khokhlov AR (1991) Theories based on the Onsager Approach. In Ciferri A (ed) Liquid Crystallinity in Polymers. VCH Publishers, New York, p 97... 

The Onsager approach appears quite adequate for the analysis of chemical reactions in nonpolar media. " For polar liquids like water, which is of particular interest for biochemical processes, a modified model developed by Frohlich appears to be more adequate. 

The calculation of g by Eq. 12.13 involves the same difficulties as estimations according to Eq. 12.12. Therefore, Kirkwood and Frohlich (Kirkwood 1939, 1940, 1946 Frohlich 1958) suggested to treat a given number of dipoles exactly where the remaining molecules/segments were considered like in the Onsager approach as an infinite continuum where the dielectric behavior is characterized by Es. Within this approach one obtains... 

In the following we briefly discuss the continuum models of the Onsager type. The development of continuum models describing structural phase behavior in the context of reversible assembly, largely parallels the Onsager approach to ordinary lyotropics and its extensions. In the simplest case we may write Eq. (20) as... 

The development of continuum models for the stmctural phase behavior of reversible assembly largely parallels the Onsager approach to inert lyotropic sys-... 

Weiter M, Bassler H, Gulbinas V, Scherf U (2003) Transient photoconductivity in a film of ladder-type poly-phenylene failure of the Onsager approach. Chem Phys Lett 379 177... 

The transition of an athermal solution of partially flexible polymer chains into the anisotropic phase for the models of partial flexibility shown in Fig. 1.2 has been studied many times [30,32-36] using the continuous approach (Onsager approach). We will report the basic results of these studies and briefly characterize the method with which the results were obtained below. 

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