Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Heinzinger, Karl"'
Publikováno v:
Journal of Chemical Physics; 9/1/1989, Vol. 91 Issue 5, p3148, 12p
Publikováno v:
Journal of Chemical Physics; 8/15/1986, Vol. 85 Issue 4, p2169, 9p
An approach based on the combination of computer simulation, optimized cluster theory an the theory of integral equation for the description of the equilibrium properties of BJH model of water in applied. This approach avoids the difficulties connect
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______788::a2c58e58cbd2278d2fc216b7c081c190
https://duepublico2.uni-due.de/receive/duepublico_mods_00018673
https://duepublico2.uni-due.de/receive/duepublico_mods_00018673
A molecular dynamics simulation of a 2.2 molal aqueous KCl solution has been performed using the ST2 water model. The simulation extended over 5ps at an average temperature of 288 K. The basic box has a side length of 18.74 A and contained 200 water
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______788::b0469d271e0b527719404042b4d7d597
https://duepublico2.uni-due.de/servlets/MCRFileNodeServlet/duepublico_derivate_00020433/paper1986_3.pdf
https://duepublico2.uni-due.de/servlets/MCRFileNodeServlet/duepublico_derivate_00020433/paper1986_3.pdf
Autor:
Heinzinger, Karl, Weston, Ralph E.
Publikováno v:
Journal of Chemical Physics; Jan1965, Vol. 42 Issue 1, p272-274, 3p
Molecular dynamics (MD) simulation studies of the mercury-water interface are presented. A slab of water molecules, about 25Åwide, confined by mercury phases, is investigated. A rigid water model and a flexible water model are used to describe the w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=unidue___bib::156311225751c2cc2580c2ccadcd7328
http://www.sciencedirect.com/science/article/pii/0039602895004084
http://www.sciencedirect.com/science/article/pii/0039602895004084
A Molecular Dynamics simulation of a 1.1 molal aqueous BeCl2 solution was performed with the flexible BJH model for water and a newly developed three-body potential for Be2+ -H2O interactions derived from ab-initio calculations. The properties of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=unidue___bib::7971349bd90b2a263408119057c5e216
http://www.tandfonline.com/doi/pdf/10.1080/08927029108022447
http://www.tandfonline.com/doi/pdf/10.1080/08927029108022447
Publikováno v:
Faraday Discussions; 1992, Vol. 94, p307-315, 9p
Autor:
Baranyai, András, Geiger, Alfonz, Gartrell-Mills, Philip R., Heinzinger, Karl, McGreevy, Robert, Pálinkás, Gábor, Ruff, Imre
Publikováno v:
Journal of the Chemical Society, Faraday Transactions 2: Molecular & Chemical Physics; Aug1987, Vol. 83 Issue 8, p1335-1365, 31p