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  • Molecular modeling using empirical force field represents very efficient tool in molecular nanotechnology designing molecular systems with various functionalities. The main problem in molecular nanotechnology based on the host-guest complementarity, witch is characterized by a series of factors describing the presence, ordering and distance of active sites on the host structure, the size of guest molecules, the charge distribution on the host matrix and guest molecules and mutual relation between the host-guest interaction energy.
  • Molecular modeling using empirical force field represents very efficient tool in molecular nanotechnology designing molecular systems with various functionalities. The main problem in molecular nanotechnology based on the host-guest complementarity, witch is characterized by a series of factors describing the presence, ordering and distance of active sites on the host structure, the size of guest molecules, the charge distribution on the host matrix and guest molecules and mutual relation between the host-guest interaction energy. (en)
  • Molecular modeling using empirical force field represents very efficient tool in molecular nanotechnology designing molecular systems with various functionalities. The main problem in molecular nanotechnology based on the host-guest complementarity, witch is characterized by a series of factors describing the presence, ordering and distance of active sites on the host structure, the size of guest molecules, the charge distribution on the host matrix and guest molecules and mutual relation between the host-guest interaction energy. (cs)
Title
  • Molecular Modeling in Materials Design
  • Molecular Modeling in Materials Design (en)
  • Molekulární modelování a design nanomateriálů (cs)
skos:prefLabel
  • Molecular Modeling in Materials Design
  • Molecular Modeling in Materials Design (en)
  • Molekulární modelování a design nanomateriálů (cs)
skos:notation
  • RIV/61989100:27640/07:00015374!RIV08-MSM-27640___
http://linked.open.../vavai/riv/strany
  • 25-25
http://linked.open...avai/riv/aktivita
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  • Z(MSM6198910016)
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  • 434865
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  • RIV/61989100:27640/07:00015374
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  • molecular modeling; material design (en)
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  • [1B5622A1DD55]
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  • Praha
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  • NANO 07,sborník přednášek a abstraktů mezinárodní konference
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  • Čapková, Pavla
http://linked.open...n/vavai/riv/zamer
number of pages
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  • ČSNMT Praha
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  • 978-80-214-3460-8
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  • 27640
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