"New theoretical method enable reliable simulations of the magnetic circular dichroism (MCD). MCD spectra thus reveal details about molecular geometry and electronic structure. In particular, preliminary results indicate that the method is also very convenient to discriminate between various conjugated carbon forms. In the project the MCD spectroscopy will be developed to a robust analytical tool allowing identifying fullerenes and similar carbon compounds, their geometry, electronic properties and interactions. Versatile experimental protocols and new computational protocols will be found allowing to incorporate the environment and vibrational dynamics. The developed methods will be applied to fullerenes, nanotubes, and carbon nanostructures. The final objective is to enhance the design and applications of these carbon forms in medicine, electronic and material industry."@en . . . "8"^^ . . "GA13-03978S" . "8"^^ . " fullerenes" . . . . . . "2016-12-31+01:00"^^ . . . "Nov\u00E9 teoretick\u00E9 techniky umo\u017E\u0148uj\u00ED spolehliv\u00E9 simulace magnetick\u00E9ho cirkul\u00E1rn\u00EDho dichroismu (MCD). MCD spektra tak poskytuj\u00ED detailn\u00ED informaci o molekulov\u00E9 geometrii a elektronov\u00E9 struktu\u0159e. P\u0159edb\u011B\u017En\u00E9 v\u00FDsledky nav\u00EDc nazna\u010Duj\u00ED, \u017Ee tato metoda je neoby\u010Dejn\u011B v\u00FDhodn\u00E1 pro rozli\u0161en\u00ED r\u016Fzn\u00FDch konjugovan\u00FDch forem uhl\u00EDku. V projektu budou vypracov\u00E1ny postupy MCD spektroskopie jako spolehliv\u00E9 analytick\u00E9 metody, kter\u00E1 umo\u017En\u00ED identifikovat fullereny a v\u011Bt\u0161\u00ED uhl\u00EDkov\u00E9 struktury, jejich geometrii, elektronick\u00E9 vlastnosti a interakce. K tomu budou vyvinuty flexibiln\u00ED experiment\u00E1ln\u00ED postupy a v\u00FDpo\u010Detn\u00ED metody dovoluj\u00EDc\u00ED zahrnout molekulov\u00E9 okol\u00ED a vibra\u010Dn\u00ED dynamiku. Metoda bude bezprost\u0159edn\u011B aplikov\u00E1na pro fullereny, nanotrubky, a podobn\u00E9 uhl\u00EDkov\u00E9 konjugovan\u00E9 materi\u00E1ly. Kone\u010Dn\u00FDm c\u00EDlem je snadn\u011Bj\u0161\u00ED synt\u00E9za a roz\u0161\u00ED\u0159en\u00ED aplika\u010Dn\u00EDch mo\u017Enost\u00ED t\u011Bchto uhl\u00EDkov\u00FDch struktur v l\u00E9ka\u0159stv\u00ED, elektronick\u00E9m a materi\u00E1lov\u00E9m pr\u016Fmyslu." . " spectroscopy" . "1"^^ . . "2015-04-23+02:00"^^ . "magnetic circular dichroism" . "0"^^ . . "2013-02-01+01:00"^^ . "Magnetic circular dichroism as an analytical tool for fullerenes and carbon nanostructures"@en . "0"^^ . . . "http://www.isvav.cz/projectDetail.do?rowId=GA13-03978S"^^ . "2014-03-31+02:00"^^ . . "Magnetick\u00FD cirkul\u00E1rn\u00ED dichroismus jako analytick\u00E1 metoda pro fullereny a uhl\u00EDkov\u00E9 nanomateri\u00E1ly" . . "magnetic circular dichroism, carbon materials, fullerenes, spectroscopy, theoretical modeling"@en . " carbon materials" . .