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Molecular Modeling in Materials Design

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F07%3A00015374" target="_blank" >RIV/61989100:27640/07:00015374 - isvavai.cz</a>

  • Result on the web

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Molecular Modeling in Materials Design

  • Original language description

    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.

  • Czech name

    Molekulární modelování a design nanomateriálů

  • Czech description

    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.

Classification

  • Type

    D - Article in proceedings

  • CEP classification

    JI - Composite materials

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    Z - Vyzkumny zamer (s odkazem do CEZ)

Others

  • Publication year

    2007

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Article name in the collection

    NANO 07,sborník přednášek a abstraktů mezinárodní konference

  • ISBN

    978-80-214-3460-8

  • ISSN

  • e-ISSN

  • Number of pages

    1

  • Pages from-to

    25-25

  • Publisher name

    ČSNMT Praha

  • Place of publication

    Praha

  • Event location

  • Event date

  • Type of event by nationality

  • UT code for WoS article