Search results

  1. 1.
    0345980 - ÚOCHB 2011 RIV US eng J - Journal Article
    Hudecová, J. - Kapitán, Josef - Baumruk, V. - Hammer, R. P. - Keiderling, T. A. - Bouř, Petr
    Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide.
    Journal of Physical Chemistry A. Roč. 114, č. 28 (2010), s. 7642-7651. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Grant - others:GA UK(CZ) 126310
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : Raman optical activity * ab initio * side chain * flexibility * peptide
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.732, year: 2010
    Permanent Link: http://hdl.handle.net/11104/0005964
     
     
  2. 2.
    0326855 - ÚOCHB 2010 RIV US eng J - Journal Article
    Šebek, Jiří - Kapitán, Josef - Šebestík, Jaroslav - Baumruk, V. - Bouř, Petr
    L-Alanyl-L-alanine Conformational Changes Induced by pH As Monitored by the Raman Optical Activity Spectra.
    Journal of Physical Chemistry A. Roč. 113, č. 27 (2009), s. 7760-7768. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA202/07/0732; GA ČR GA203/07/1517; GA AV ČR IAA400550702
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : Raman optical activity * peptides * conformation
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.899, year: 2009
    Permanent Link: http://hdl.handle.net/11104/0005313
     
     
  3. 3.
    0326850 - ÚOCHB 2010 RIV US eng J - Journal Article
    Kaminský, Jakub - Kapitán, Josef - Baumruk, V. - Bednárová, Lucie - Bouř, Petr
    Interpretation of Raman and Raman Optical Activity Spectra of a Flexible Sugar Derivative, the Gluconic Acid Anion.
    Journal of Physical Chemistry A. Roč. 113, č. 15 (2009), s. 3594-3601. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : Raman optical activity * sugars * saccharides * gluconic acid * flexibility
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.899, year: 2009
    Permanent Link: http://hdl.handle.net/11104/0005310
     
     
  4. 4.
    0315675 - ÚOCHB 2009 RIV US eng J - Journal Article
    Bouř, Petr - Kim, J. - Kapitán, Josef - Hammer, R. P. - Huang, R. - Wu, L. - Keiderling, T. A.
    Vibrational circulardichroism and IR spectral analysis as a test of theoretical conformational modeling for a cyclic hexapeptide.
    [Vibrační cirkulární dicrhoismus a IČ spektrální analýza jako test konformačního chování cycklického hexapeptidu.]
    Chirality. Roč. 20, č. 10 (2008), s. 1104-1119. ISSN 0899-0042. E-ISSN 1520-636X
    R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Grant - others:NSF(US) CHE-0316014; NSF(US) CHE-0718543
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : vibrational circular dichroism * peptide * conformation * ab initio
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.212, year: 2008
    Permanent Link: http://hdl.handle.net/11104/0165810
     
     
  5. 5.
    0312547 - ÚOCHB 2009 RIV US eng J - Journal Article
    Buděšínský, Miloš - Daněček, Petr - Bednárová, Lucie - Kapitán, Josef - Baumruk, V. - Bouř, Petr
    Comparison of quantitative conformer analyses by nuclear magnetic resonance and raman optical activity spectra for model dipeptides.
    [Srovnání konformační analýzy pomocí NMR a ROA pro modelové dipeptidy.]
    Journal of Physical Chemistry A. Roč. 112, č. 37 (2008), s. 8633-8640. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : conformer ratio * NMR * raman optical activity * peptides
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.871, year: 2008
    Permanent Link: http://hdl.handle.net/11104/0004751
     
     
  6. 6.
    0311276 - ÚOCHB 2009 RIV GB eng J - Journal Article
    Kapitán, Josef - Hecht, L. - Bouř, Petr
    Raman spectral evidence of methyl rotation in liquid toluene.
    [Rotace metylové skupiny v kapalném toluenu studována Ramanovým rozptylem.]
    Physical Chemistry Chemical Physics. Roč. 10, č. 7 (2008), s. 1003-1008. ISSN 1463-9076. E-ISSN 1463-9084
    R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550704
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : toluene * Raman spectra * rotation * liquid phase
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 4.064, year: 2008
    Permanent Link: http://hdl.handle.net/11104/0162933
     
     
  7. 7.
    0305673 - ÚOCHB 2008 RIV DE eng J - Journal Article
    Kim, J. - Kapitán, Josef - Lakhani, A. - Bouř, Petr - Keiderling, T. A.
    Tight beta-turns in peptides. DFT-based study of infrared absorption and vibrational circular dichroism for various conformers including solvent effects.
    [Beta-ohyby peptidů. DFT studie IR a VCD různých konformerů zahrnující solvatační efekty.]
    Theoretical Chemistry Accounts. Roč. 119, 1/3 (2008), s. 81-97. ISSN 1432-881X. E-ISSN 1432-2234
    R&D Projects: GA ČR GA203/06/0420
    Grant - others:NSF(US) CHE03-16014
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : peptide beta-turn * density functional theory * infrared absorption * vibrational circular dichroism
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 2.370, year: 2008
    Permanent Link: http://hdl.handle.net/11104/0158890
     
     
  8. 8.
    0194311 - UOCHB-X 20010156 RIV US eng J - Journal Article
    Bouř, Petr - Kapitán, Josef - Baumruk, V.
    Simulation of the Raman optical activity of L-alanyl-L-alanine.
    Journal of Physical Chemistry A. Roč. 105, - (2001), s. 6362-6368. ISSN 1089-5639. E-ISSN 1520-5215
    R&D Projects: GA ČR GA203/97/P002; GA ČR GA203/01/0031
    Institutional research plan: CEZ:AV0Z4055905
    Keywords : Raman optical activity
    Subject RIV: CE - Biochemistry
    Impact factor: 2.630, year: 2001
    Permanent Link: http://hdl.handle.net/11104/0002769
     
     
  9. 9.
    0087190 - ÚOCHB 2008 RIV US eng J - Journal Article
    Daněček, Petr - Kapitán, Josef - Baumruk, V. - Bednárová, Lucie - Kopecký, V. - Bouř, Petr
    Anharmonic effects in IR, Raman, and Raman optical activity spectra of alanine and proline zwitterions.
    [Anharmonické efekty v IR, Ramanových a opticky aktivních spektrech alaninového a prolinového zwitteriontu.]
    Journal of Chemical Physics. Roč. 126, č. 22 (2007), s. 224513-1. ISSN 0021-9606. E-ISSN 1089-7690
    R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : IR * Raman * ROA spectra * Anharmonic effects
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 3.044, year: 2007
    Permanent Link: http://hdl.handle.net/11104/0149096
     
     
  10. 10.
    0048065 - ÚOCHB 2007 RIV NL eng J - Journal Article
    Kapitán, Josef - Baumruk, V. - Hulačová, Hana - Maloň, Petr
    Raman optical activity of the hinge peptide.
    [Ramanova optická aktivita hinge peptidů.]
    Vibrational Spectroscopy. Roč. 42, č. 1 (2006), s. 88-92. ISSN 0924-2031. E-ISSN 1873-3697
    R&D Projects: GA ČR(CZ) GA203/02/0328; GA ČR GA203/03/1362
    Institutional research plan: CEZ:AV0Z40550506
    Keywords : Raman optical activity * Raman spectroscopy * peptides * PPII conformation
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 1.880, year: 2006
    Permanent Link: http://hdl.handle.net/11104/0138790
     
     

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