@article{75dda086c755474fb14f5ea1167c9404,
title = "DFT calculations on the electronic and geometrical structure of 18-crown-6 complexes with Ag+, Hg2+, Ag-0, Hg+, (HgAgNO3)-Ag-0, and HgX2 (X = Cl, Br, and I)",
abstract = "Density functional theory is used for molecular simulation of the electronic and geometrical structure of 18-crown-6, its complexes with Ag",
author = "A.A. Bagatur'yants and A.Y. Freidzon and M.V. Alfimov and E.J. Baerends and J.A.K. Howard and L.G. Kuz'mina",
year = "2002",
doi = "10.1016/S0166-1280(02)00119-7",
language = "English",
volume = "588",
pages = "55--69",
journal = "Journal of Molecular Structure: THEOCHEM",
issn = "0166-1280",
publisher = "Elsevier",
}