Kvantově chemické výpočty pevné fáze - projekt FRVŠ

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Title in English	Quantum chemical calculations of systems in solid state - project FRVS
Authors	JANDERKA Pavel MARCINKOVÁ Andrea
Year of publication	2007
Type	Article in Proceedings
Conference	VII. Pracovní setkání fyzikálních chemiků a elektrochemiků
MU Faculty or unit	Faculty of Science
Citation
Field	Physical chemistry and theoretical chemistry
Keywords	quantum mechanical calculations; solid state; ADF; BAND
Description	The purpose of the project is enlarge the group of computer chemistry methods of system in solid state. Quantum chemical calculations was realized in ADF-BAND program. For more informations see http://cheminfo.chemi.muni.cz/ktfch/janderka/
Related projects:	Interactions among the chemicals, environment and biological systems and their consequences on the global, regional and local scales (INCHEMBIOL)