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
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DOI - Digital Object Identifier
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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
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Result continuities
Project
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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
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e-ISSN
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Number of pages
1
Pages from-to
25-25
Publisher name
ČSNMT Praha
Place of publication
Praha
Event location
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Event date
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Type of event by nationality
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UT code for WoS article
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