Issue 16, 2009
From the journal:

Physical Chemistry Chemical Physics

The influence of the chemical compression on the electric properties of molecular systems within the supermolecular approximation: the LiH molecule as a case study

Anna Kaczmarek*a  and  Wojciech Bartkowiakb  

* Corresponding authors

a Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, Toruñ, Poland
E-mail: teoadk@chem.uni.torun.pl

b Institute of Physical and Theoretical Chemistry, Wrocław University of Technology, Wybrzeże Wyspiañskiego 27, Wrocław, Poland

Abstract

The influence of the chemical compression on the electric properties of the model system is investigated. Two types of chemical environments are applied to exert pressure on the LiH molecule: nanotube-like and fullerene-like. The effects of two shapes of helium cavities onto the electric properties of the model system are discussed. The obtained results are compared to the data generated for the model spherical and cylindrical potentials by other authors.

Graphical abstract: The influence of the chemical compression on the electric properties of molecular systems within the supermolecular approximation: the LiH molecule as a case study

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Article information

DOI
https://doi.org/10.1039/B819346K
Article type
Paper
Submitted
03 Nov 2008
Accepted
27 Feb 2009
First published
12 Mar 2009

Phys. Chem. Chem. Phys., 2009,11, 2885-2892

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The influence of the chemical compression on the electric properties of molecular systems within the supermolecular approximation: the LiH molecule as a case study

A. Kaczmarek and W. Bartkowiak, Phys. Chem. Chem. Phys., 2009, 11, 2885 DOI: 10.1039/B819346K

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