The influence of the chemical compression on the electric properties of molecular systems within the supermolecular approximation: the LiH molecule as a case study.
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.
Faculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, 87-100 Toruñ, Poland. teoadk@chem.uni.torun.pl
Anna
A
Kaczmarek
Wojciech
W
Bartkowiak