Kvantově chemické výpočty pevné fáze - projekt FRVŠ

• 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
• 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/

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