About: Transformation of Aromatic Compounds on Pyrolytic Si/SiO2 Surfaces. III. Application of Quantum Chemical Processing     Goto   Sponge   NotDistinct   Permalink

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  • 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).
  • 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). (en)
  • 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). (cs)
Title
  • 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 (en)
  • Proměny aromatických sloučenin na pyrolytických Si/SiO2 površích. III. Aplikace kvantově chemického zpracování (cs)
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 (en)
  • Proměny aromatických sloučenin na pyrolytických Si/SiO2 površích. III. Aplikace kvantově chemického zpracování (cs)
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  • RIV/70883521:28110/06:63504762!RIV07-MSM-28110___
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  • 1-14
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  • Z(MSM7088352101)
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  • 504186
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  • RIV/70883521:28110/06:63504762
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  • 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 (en)
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  • [B6D7A05ACA05]
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  • Rožnov pod Radhoštěm
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  • SILICON 2006 The Tenth Scientific and Business Conference
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  • Lapčík, Lubomír
  • Lapčíková, Barbora
  • Minařík, Antonín
  • Pelikán, Peter
  • Macháčková, Alena
  • Vojtěchovský, Karel
  • Čeppan, Michal
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  • TECON Scientific, s.r.o.
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  • 80-239-7781-4
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  • 28110
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