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Statements

Subject Item
n2:RIV%2F00216208%3A11310%2F08%3A12925%21RIV09-AV0-11310___
rdf:type
skos:Concept n15:Vysledek
dcterms:description
Li@C-60 and Li@C-70 can be prepared and thus, their calculations at higher levels of theory are also of interest. In the report, the computations are carried out on Li@C-60, Li-2@C-60 and Li-3@C-60 with the B3LYP density-functional theory treatment in th Li@C-60 and Li@C-70 can be prepared and thus, their calculations at higher levels of theory are also of interest. In the report, the computations are carried out on Li@C-60, Li-2@C-60 and Li-3@C-60 with the B3LYP density-functional theory treatment in th Vypocty Li_x@C60
dcterms:title
Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics Li-x@C-60: vypocty enkapsulacnich energii a termodynamiky Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics
skos:prefLabel
Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics Li-x@C-60: vypocty enkapsulacnich energii a termodynamiky Li-x@C-60: Calculations of the encapsulation energetics and thermodynamics
skos:notation
RIV/00216208:11310/08:12925!RIV09-AV0-11310___
n3:aktivita
n12:P
n3:aktivity
P(1ET401110505)
n3:cisloPeriodika
9
n3:dodaniDat
n14:2009
n3:domaciTvurceVysledku
n8:3305406
n3:druhVysledku
n13:J
n3:duvernostUdaju
n16:S
n3:entitaPredkladatele
n7:predkladatel
n3:idSjednocenehoVysledku
376989
n3:idVysledku
RIV/00216208:11310/08:12925
n3:jazykVysledku
n9:eng
n3:klicovaSlova
endohedral fullerenes; calculated energetics and thermodynamics; structure and bonding; metallofullerene stabilities; computational optimization of syntheses; endohedral fullerenes; electron-density; li-at-c-60; metallofullerenes; spectroscopy; ca-at-c-74; complexes; clusters; motion; atoms
n3:klicoveSlovo
n4:motion n4:metallofullerenes n4:complexes n4:atoms n4:calculated%20energetics%20and%20thermodynamics n4:li-at-c-60 n4:computational%20optimization%20of%20syntheses n4:clusters n4:endohedral%20fullerenes n4:electron-density n4:metallofullerene%20stabilities n4:ca-at-c-74 n4:structure%20and%20bonding n4:spectroscopy
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[A732989FC6D7]
n3:nazevZdroje
International journal of molecular sciences
n3:obor
n18:CF
n3:pocetDomacichTvurcuVysledku
1
n3:pocetTvurcuVysledku
5
n3:projekt
n10:1ET401110505
n3:rokUplatneniVysledku
n14:2008
n3:svazekPeriodika
9
n3:tvurceVysledku
Uhlík, Filip
n3:wos
000259736000014
s:issn
1422-0067
s:numberOfPages
10
n17:organizacniJednotka
11310