Search results
- 1.0407381 - UOCHB-X 920148 US eng J - Journal Article
Bouř, Petr - Keiderling, T. A.
Computational Evaluation of the Coupled Oscillator Model in the Vibrational Circular Dichroism of Selected Small Molecules.
Journal of the American Chemical Society. Roč. 114, č. 23 (1992), s. 9100-9105. ISSN 0002-7863. E-ISSN 1520-5126
Impact factor: 5.298, year: 1992
Permanent Link: http://hdl.handle.net/11104/0127491 - 2.0407177 - UOCHB-X 910553 NL eng J - Journal Article
Maloň, Petr - Keiderling, T. A. - Uang, J. Y. - Chickos, J. S.
Vibrational Circular Dichroism Study of [3R,4R]-Dideuteriocyclobutane-1,2-dione. Preliminary Comparison of Experiment and Calculations.
Chemical Physics Letters. Roč. 179, č. 3 (1991), s. 282-290. ISSN 0009-2614. E-ISSN 1873-4448
Impact factor: 2.404, year: 1991
Permanent Link: http://hdl.handle.net/11104/0003494 - 3.0406969 - UOCHB-X 910332 US eng J - Journal Article
Maloň, Petr - Keiderling, T. A.
A Solution to the Artifact Problem in Fourier Transform Vibrational Circular Dichroism.
Applied Spectroscopy. Roč. 42, - (1988), s. 32-38. ISSN 0003-7028. E-ISSN 1943-3530
Permanent Link: http://hdl.handle.net/11104/0127089 - 4.0383282 - ÚOCHB 2013 RIV DE eng J - Journal Article
Hudecová, Jana - Horníček, Jan - Buděšínský, Miloš - Šebestík, Jaroslav - Šafařík, Martin - Zhang, G. - Keiderling, T. A. - Bouř, Petr
Three Types of Induced Tryptophan Optical Activity Compared in Model Dipeptides: Theory and Experiment.
ChemPhysChem. Roč. 13, č. 11 (2012), s. 2748-2760. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:GA UK(CZ) 126310
Institutional research plan: CEZ:AV0Z40550506
Keywords : circular dichroism * conformation analysis * density functional calculations * Raman spectroscopy * peptides
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.349, year: 2012
Permanent Link: http://hdl.handle.net/11104/0213270 - 5.0379028 - ÚOCHB 2013 RIV GB eng J - Journal Article
Wang, B. - Bouř, Petr - Keiderling, T. A.
Rotationally resolved magnetic vibrational circular dichroism of the paramagnetic molecule NO.
Physical Chemistry Chemical Physics. Roč. 14, č. 27 (2012), s. 9586-9593. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Institutional research plan: CEZ:AV0Z40550506
Keywords : magnetic vibrational circular dichroism * NO * nitric oxide * spectra analysis * paramagnetic rotors
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.829, year: 2012
Permanent Link: http://hdl.handle.net/11104/0210312 - 6.0345980 - 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 - 7.0338258 - ÚOCHB 2011 RIV US eng J - Journal Article
Roy, A. - Bouř, Petr - Keiderling, T. A.
TD-DFT Modeling of the Circular Dichroism for a Tryptophan Zipper Peptide with Coupled Aromatic Residues.
Chirality. Roč. 21, S1 (2009), E163-E171. ISSN 0899-0042. E-ISSN 1520-636X
R&D Projects: GA ČR GA202/07/0732; GA AV ČR IAA400550702
Institutional research plan: CEZ:AV0Z40550506
Keywords : tryptophan * circular dichroism * TDDFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.677, year: 2009
Permanent Link: http://hdl.handle.net/11104/0182083 - 8.0327505 - ÚOCHB 2010 RIV US eng J - Journal Article
Lakhani, A. - Maloň, Petr - Keiderling, T. A.
Comparison of Vibrational Circular Dichroism Instruments: Development of a New Dispersive VCD.
Applied Spectroscopy. Roč. 63, č. 7 (2009), s. 775-785. ISSN 0003-7028. E-ISSN 1943-3530
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational circular dichroism * VCD * dispersive infrared spectroscopy * peptides
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.564, year: 2009
Permanent Link: http://hdl.handle.net/11104/0174305 - 9.0326793 - ÚOCHB 2010 RIV US eng J - Journal Article
Huang, R. - Wu, L. - McElheny, D. - Bouř, Petr - Roy, A. - Keiderling, T. A.
Cross-strand coupling and site-specific unfolding thermodynamics oa a Trpzip beta-hairpin peptide using 13C isotopic labeling and IR spectroscopy.
Journal of Physical Chemistry B. Roč. 113, č. 16 (2009), s. 5661-5674. ISSN 1520-6106. E-ISSN 1520-5207
Grant - others:NSF(US) CHE03-16014; NSF(US) CHE07-18543; NSF(US) BIR00-79604
Institutional research plan: CEZ:AV0Z40550506
Keywords : circular dichroism * IR * trpzip * peptides
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.471, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005298 - 10.0315675 - 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