Search results
- 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 - 2.0326855 - 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 - 3.0326850 - 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 - 4.0315675 - 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 - 5.0312547 - 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 - 6.0311276 - 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 - 7.0305673 - 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 - 8.0194311 - 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 - 9.0087190 - 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 - 10.0048065 - 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