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Statements

Subject Item
n2:RIV%2F70883521%3A28110%2F06%3A63504762%21RIV07-MSM-28110___
rdf:type
skos:Concept n16:Vysledek
dcterms:description
Theoretical bases of results presented in the first part (1) is described. The method of MO LCAO has been used in the semiempirical CNDO/2 form. This is one of the simplest method which guarantee the main features of electron repulsion and fully utilizes an approximation of zero differential overlap (ZDO). Popis teoretického základu výsledků je presentován v první části [1]. Metoda MO LCAO byla použita pro semiempirický CNDO/2 tvar. Toto je jedna z nejjednodušších metod, která zaručuje hlavní rysy elektronového odpuzování a plně využívá aproximace ZDO (zero differential overlap). Theoretical bases of results presented in the first part (1) is described. The method of MO LCAO has been used in the semiempirical CNDO/2 form. This is one of the simplest method which guarantee the main features of electron repulsion and fully utilizes an approximation of zero differential overlap (ZDO).
dcterms:title
Transformation of Aromatic Compounds on Pyrolytic Si/SiO2 Surfaces. III. Application of Quantum Chemical Processing Proměny aromatických sloučenin na pyrolytických Si/SiO2 površích. III. Aplikace kvantově chemického zpracování Transformation of Aromatic Compounds on Pyrolytic Si/SiO2 Surfaces. III. Application of Quantum Chemical Processing
skos:prefLabel
Transformation of Aromatic Compounds on Pyrolytic Si/SiO2 Surfaces. III. Application of Quantum Chemical Processing Transformation of Aromatic Compounds on Pyrolytic Si/SiO2 Surfaces. III. Application of Quantum Chemical Processing Proměny aromatických sloučenin na pyrolytických Si/SiO2 površích. III. Aplikace kvantově chemického zpracování
skos:notation
RIV/70883521:28110/06:63504762!RIV07-MSM-28110___
n3:strany
1-14
n3:aktivita
n17:Z
n3:aktivity
Z(MSM7088352101)
n3:dodaniDat
n7:2007
n3:domaciTvurceVysledku
n10:4485793 n10:1836595 n10:9140077 n10:5098955
n3:druhVysledku
n9:D
n3:duvernostUdaju
n18:S
n3:entitaPredkladatele
n19:predkladatel
n3:idSjednocenehoVysledku
504186
n3:idVysledku
RIV/70883521:28110/06:63504762
n3:jazykVysledku
n13:eng
n3:klicovaSlova
linear combination of atomic orbitals; molecular orbitals; complete neglect of differencial overlap; Hartree-Fock equations; Fock operator; Coulomb operator; exchange operator; self-consistent field procedure
n3:klicoveSlovo
n4:Hartree-Fock%20equations n4:linear%20combination%20of%20atomic%20orbitals n4:molecular%20orbitals n4:Fock%20operator n4:complete%20neglect%20of%20differencial%20overlap n4:exchange%20operator n4:Coulomb%20operator n4:self-consistent%20field%20procedure
n3:kontrolniKodProRIV
[B6D7A05ACA05]
n3:mistoVydani
Rožnov pod Radhoštěm
n3:nazevZdroje
SILICON 2006 The Tenth Scientific and Business Conference
n3:obor
n11:CF
n3:pocetDomacichTvurcuVysledku
4
n3:pocetTvurcuVysledku
8
n3:rokUplatneniVysledku
n7:2006
n3:tvurceVysledku
Macháčková, Alena Lapčík, Lubomír Vojtěchovský, Karel Lapčíková, Barbora Pelikán, Peter Čeppan, Michal Minařík, Antonín
n3:zamer
n15:MSM7088352101
s:numberOfPages
14
n14:hasPublisher
TECON Scientific, s.r.o.
n12:isbn
80-239-7781-4
n8:organizacniJednotka
28110