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- 1.0366600 - ÚACH 2012 RIV NL eng J - Journal Article
Macháček, J. - Kostka, Petr - Liška, M. - Zavadil, Jiří - Gedeon, O.
Calculation and analysis of vibrational spectra of PbCl(2)-Sb(2)O(3)-TeO(2) glass from first principles.
Journal of Non-Crystalline Solids. Roč. 357, č. 14 (2011), s. 2562-2570. ISSN 0022-3093. E-ISSN 1873-4812
R&D Projects: GA ČR GA104/08/0734; GA MPO 2A-1TP1/063
Institutional research plan: CEZ:AV0Z40320502; CEZ:AV0Z20670512
Keywords : vibrational spectrum * tellurite glass * ab initio molecular simulation
Subject RIV: JH - Ceramics, Fire-Resistant Materials and Glass
Impact factor: 1.537, year: 2011
Permanent Link: http://hdl.handle.net/11104/0201532File Download Size Commentary Version Access UFE 0366600.pdf 1 1.3 MB Other require - 2.0318378 - ÚOCHB 2009 PL eng A - Abstract
Kaprálová, Petra
A new quasiclassical method for modeling the high-resolution spectra of polyatomic systems.
[Nová kvaziklasická metoda pro modelování vysoce rozlišených spekter polyatomických systémů.]
Current Trends in Theoretical Chemistry V. Krakow: -, 2008. -.
[Current Trends in Theoretical Chemistry V. 06.07.2008-10.07.2008, Kraków]
Institutional research plan: CEZ:AV0Z40550506
Keywords : quasiclassical method * autocorrelation function * vibrational spectrum
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0167815 - 3.0316513 - ÚOCHB 2009 CZ eng A - Abstract
Kaprálová, Petra
A new quasiclassical method for modeling the high-resolution spectra of polyatomic systems.
[Nová kvaziklasická metoda pro modelování vysoce rozlišených spekter polyatomických systémů.]
7th Central European Symposium on Theoretical Chemistry. Praha: Ústav fyzikální chemie J. Heyrovského AV ČR, 2008. s. 10-10.
[Central European Symposium on Theoretical Chemistry /7./. 28.09.2008-01.10.2008, Hejnice]
Institutional research plan: CEZ:AV0Z40550506
Keywords : quasiclassical method * vibrational spectrum
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0166414 - 4.0021206 - ÚOCHB 2006 RIV US eng J - Journal Article
Brauer, B. - Gerber, R. B. - Kabeláč, Martin - Hobza, Pavel - Bakker, J. M. - Abo-Riziq, A. - Vries de, M. S.
Vibrational spectroscopy of the G...C base pair: Experiment, harmonic and anharmonic calculations, and the nature of the anharmonic couplings.
[Vibrační spektroskopie páru bází guanin…cytosin - experiment, harmonické a anharmonické výpočty a původ anharmonického spřažení.]
Journal of Physical Chemistry A. Roč. 109, - (2005), s. 6974-6984. ISSN 1089-5639. E-ISSN 1520-5215
Grant - others:NSF(US) CHE-0244341
Institutional research plan: CEZ:AV0Z40550506
Keywords : nucleic acids bases * vibrational spectrum * frequencies anharmonicity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.898, year: 2005
Permanent Link: http://hdl.handle.net/11104/0003034