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Statements

Subject Item
n2:RIV%2F46747885%3A24510%2F06%3A%230000083%21RIV09-MSM-24510___
rdf:type
skos:Concept n14:Vysledek
dcterms:description
Computational chemistry is able to predict properties of chemical compounds. Prediction can be divided roughly to contribution method and QSPR - Quantitative Structure-Properties Relationships. Principles and prediction possibilities of both methods for single molecules and polymers are presented. Computational chemistry is able to predict properties of chemical compounds. Prediction can be divided roughly to contribution method and QSPR - Quantitative Structure-Properties Relationships. Principles and prediction possibilities of both methods for single molecules and polymers are presented. Počítačová chemie je schopna predikovat vlastnosti chemických látek. Hrubá predikce je prováděna příspěvkovou metodou, jemnější metodou QSPR - kvantitativními relacemi molekulárních deskriptorů a vlastností. V práci jsou ukázky aplikací obou metod.
dcterms:title
Computational Chemistry for Prediction of Compounds Properties Počítačová chemie pro predikci vlastností sloučenin Computational Chemistry for Prediction of Compounds Properties
skos:prefLabel
Computational Chemistry for Prediction of Compounds Properties Počítačová chemie pro predikci vlastností sloučenin Computational Chemistry for Prediction of Compounds Properties
skos:notation
RIV/46747885:24510/06:#0000083!RIV09-MSM-24510___
n3:aktivita
n16:P
n3:aktivity
P(1M0553)
n3:dodaniDat
n11:2009
n3:domaciTvurceVysledku
n7:7439709 n7:5193214
n3:druhVysledku
n10:D
n3:duvernostUdaju
n19:S
n3:entitaPredkladatele
n5:predkladatel
n3:idSjednocenehoVysledku
469463
n3:idVysledku
RIV/46747885:24510/06:#0000083
n3:jazykVysledku
n9:eng
n3:klicovaSlova
property prediction; computational chemistry; molecular modeling
n3:klicoveSlovo
n8:property%20prediction n8:molecular%20modeling n8:computational%20chemistry
n3:kontrolniKodProRIV
[13B376F50F3A]
n3:mistoKonaniAkce
Liberec
n3:mistoVydani
Liberec
n3:nazevZdroje
International Conference: Presentation of Mathematics 06
n3:obor
n15:JJ
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
3
n3:projekt
n21:1M0553
n3:rokUplatneniVysledku
n11:2006
n3:tvurceVysledku
Slavík, Martin Grégr, Jan Maršálková, Miroslava
n3:typAkce
n20:EUR
n3:zahajeniAkce
2006-01-01+01:00
s:numberOfPages
6
n17:hasPublisher
TU Liberec
n18:isbn
80-7372-153-8
n13:organizacniJednotka
24510