"Chemical processes at organic surfaces play an important role in many fields ranging from biology to atmospheric chemistry to nanotechnology. A significant factor in many heterogeneous chemical reactions is a thin layer of water adsorbed at the surface, providing a rather specific reaction environment. In order to understand, control, and possibly utilize the heterogeneous processes, it is imperative to obtain detail microscopic information on the structure and propeties of these thin water films and onthe solvation of inorganic molecules and ions in the surface-adsorbed water. Therefore, we propose a systematic investigation of one- and two-component self-assembled monolayers and their interaction with water and inorganic molecules and ions using molecular dynamics simulations and ab initio calculations. The project will be carried out in close collaboration with experimantal laboratories at the University of California, Irvine.\u00A0\u00A0"@en . "2006-01-01+01:00"^^ . "GA203/06/1488" . . "0"^^ . . "2008-12-31+01:00"^^ . "Anorganick\u00E9 molekuly a ionty v tenk\u00FDch vodn\u00EDch filmech na povrchu sm\u00ED\u0161en\u00FDch hydrofiln\u00EDch/hydrofobn\u00EDch samouspo\u0159\u00E1dan\u00FDch monovrstev" . "self-assembled monolayers" . . "2008-04-25+02:00"^^ . . "Byly provedeny molekulov\u011B dynamick\u00E9 simulace umo\u017E\u0148uj\u00EDc\u00ED studovat interakci r\u016Fzn\u00E9ho mno\u017Estv\u00ED vody s povrchem samouspo\u0159\u00E1dan\u00FDch thiolov\u00FDch monovrstev, jejich\u017E charakter byl systematicky m\u011Bn\u011Bn od hydrofobn\u00EDho k hydrofiln\u00EDmu pomoc\u00ED postupn\u00E9 zm\u011Bny pom\u011Bru thiol"@cs . "2009-10-22+02:00"^^ . "Series of molecular dynamics (MD) simulations were carried out to study the interaction of different amounts of water with the surface of self-assembled monolayers (SAMs), the character of which was systematically varied from hydrophobic to hydrophilic b"@en . . . "Inorganics in thin water films on mixed hydrophobic/hydrophilic self-assembled monolayers"@en . . "http://www.isvav.cz/projectDetail.do?rowId=GA203/06/1488"^^ . . . . "2"^^ . "0"^^ . "self-assembled monolayers; hydrophilic and hydrophobic surfaces; air/water interface"@en . . . "2"^^ . . " hydrophilic and hydrophobic surfaces" . . "1"^^ . . . "Chemick\u00E9 procesy prob\u00EDhaj\u00EDc\u00ED na organick\u00FDch povr\u0161\u00EDch hraj\u00ED v\u00FDznamnou roli v\u00A0mnoha oblastech, od biologie p\u0159es atmosf\u00E9rickou chemii a\u017E po nanotechnologie. V\u00A0\u0159ad\u011B heterogenn\u00EDch chemick\u00FDch reakc\u00ED je d\u016Fle\u017Eit\u00FDm \u010Dinitelem tenk\u00E1 vrstva vody adsorbovan\u00E1 na povrchu, kter\u00E1 vytv\u00E1\u0159\u00ED velmi specifick\u00E9 reak\u010Dn\u00ED prost\u0159ed\u00ED. K\u00A0porozum\u011Bn\u00ED, kontrole a p\u0159\u00EDpadn\u00E9mu vyu\u017Eit\u00ED heterogenn\u00EDch proces\u016F je t\u0159eba z\u00EDskat detailn\u00ED mikroskopick\u00E9 informace o struktu\u0159e a vlastnostech t\u011Bchto tenk\u00FDch vodn\u00EDch film\u016F a o solvataci inorganick\u00FDch molekul a iont\u016F v\u00A0nich. Za t\u00EDm \u00FA\u010Delem navrhujeme systematick\u00E9 zkoum\u00E1n\u00ED jedno- i v\u00EDceslo\u017Ekov\u00FDch samoorganizovan\u00FDch monovrstev a jejich interakce s\u00A0vodou a anorganick\u00FDmi molekulami a ionty pomoc\u00ED molekulov\u011B dynamick\u00FDch simulac\u00ED a ab initio v\u00FDpo\u010Dt\u016F. Projekt bude realizov\u00E1n v\u00A0t\u011Bsn\u00E9 sou\u010Dinnosti s\u00A0experiment\u00E1ln\u00EDmi laborato\u0159emi na Kalifornsk\u00E9 univerzit\u011B v Irvine. \u00A0\u00A0" . . .