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Liquid Crystals and their Application
Russian Journal

Zhidkie kristally i ikh prakticheskoe ispol'zovanie

Жидкие кристаллы и их практическое использование

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Rus Eng


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Zhidk. krist. ikh prakt. ispol'z. = Liq. Cryst. and their Appl., 2013, 4, 96—102.

Ab-Initio Modeling for Free Void Evolution in Lyotropic Aggregates, Defined by the Reactions of Low-Energy Positrons

L. V. El'nikova

Author affiliations
SSC RF A.I. Alikhanovs Institute for Theoretical and Experimental Physics,
B. Cheremushkinskaya str. 25, 117218 Moscow, Russia. 

An ab-initio modeling approach for calculations of the functions of energy and polarization on the example of water, taking into account the geometric parameters of nanoscale voids in the reactions of positron annihilation is proposed. The applicability of this method in the analysis of the positron and positronium reactions in micellar aggregates is discussed.

Keywords: polar liquids, positron annihilation, first-principles calculations, micelles

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