Search results
- 1.0560611 - ÚOCHB 2023 RIV DE eng J - Journal Article
Hudecová, Jana - Kapitán, J. - Dračínský, Martin - Michal, P. - Profant, V. - Bouř, Petr
Structure of Zinc and Nickel Histidine Complexes in Solution Revealed by Molecular Dynamics and Raman Optical Activity.
Chemistry - A European Journal. Roč. 28, č. 59 (2022), č. článku e202202045. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GA22-04669S; GA ČR(CZ) GA22-15374S; GA MŠMT(CZ) EF16_019/0000729
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : density functional calculations * histidine * metal complexes * molecular dynamics * Raman optical activity * Raman spectroscopy
OECD category: Physical chemistry
Impact factor: 4.3, year: 2022
Method of publishing: Limited access
https://doi.org/10.1002/chem.202202045
Permanent Link: https://hdl.handle.net/11104/0333475 - 2.0491276 - ÚOCHB 2019 RIV DE eng J - Journal Article
Brichtová, Eva - Hudecová, Jana - Vršková, Nikola - Šebestík, Jaroslav - Bouř, Petr - Wu, Tao
Binding of Lanthanide Complexes to Histidine-Containing Peptides Probed by Raman Optical Activity Spectroscopy.
Chemistry - A European Journal. Roč. 24, č. 34 (2018), s. 8664-8669. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR(CZ) GJ16-08764Y; GA MŠMT(CZ) LTC17012; GA ČR(CZ) GA18-05770S
Institutional support: RVO:61388963
Keywords : biomolecular probe * chemical imaging * circularly polarized luminescence * histidine * lanthanide-binding peptide * molecular dynamics
OECD category: Biophysics
Impact factor: 5.160, year: 2018
Permanent Link: http://hdl.handle.net/11104/0285285 - 3.0444147 - ÚOCHB 2016 RIV DE eng J - Journal Article
Wu, Tao - Hudecová, Jana - You, X. Z. - Urbanová, M. - Bouř, Petr
Comparison of the Electronic and Vibrational Optical Activity of a Europium(III) Complex.
Chemistry - A European Journal. Roč. 21, č. 15 (2015), s. 5807-5813. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA ČR GAP208/11/0105; GA ČR GA13-03978S; GA ČR GA15-09072S
Grant - others:GA AV ČR(CZ) M200551205
Institutional support: RVO:61388963
Keywords : chirality * electronic states * lanthanides * luminescence * Raman spectroscopy * vibrational spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.771, year: 2015
Permanent Link: http://hdl.handle.net/11104/0246761 - 4.0429693 - ÚOCHB 2015 RIV CZ cze J - Journal Article
Hudecová, Jana - Bouř, Petr
Vibrační optická aktivita: Experimentální zázemí a počítačové simulace.
[Vibrational Optical Activity: Experimental Background and Computer Simulations.]
Chemické listy. Roč. 108, č. 4 (2014), s. 285-292. ISSN 0009-2770. E-ISSN 1213-7103
Institutional support: RVO:61388963
Keywords : vibrational optical activity * circular dichroism * DFT calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.272, year: 2014
Permanent Link: http://hdl.handle.net/11104/0234789 - 5.0394880 - ÚOCHB 2014 RIV US eng J - Journal Article
Hudecová, Jana - Profant, V. - Novotná, P. - Baumruk, V. - Urbanová, M. - Bouř, Petr
CH Stretching Region: Computational Modeling of Vibrational Optical Activity.
Journal of Chemical Theory and Computation. Roč. 9, č. 7 (2013), s. 3096-3108. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : density-functional theory * circular-dichroism spectra * N-methyl acetamide * alpha-pinene * Raman
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.310, year: 2013
Permanent Link: http://hdl.handle.net/11104/0223114 - 6.0392468 - ÚOCHB 2014 RIV US eng J - Journal Article
Li, X. - Hopmann, K. H. - Hudecová, Jana - Isaksson, J. - Novotná, J. - Stensen, W. - Andrushchenko, Valery - Urbanová, M. - Svendsen, J. S. - Bouř, Petr - Ruud, K.
Determination of Absolute Configuration and Conformation of a Cyclic Dipeptide by NMR and Chiral Spectroscopic Methods.
Journal of Physical Chemistry A. Roč. 117, č. 8 (2013), s. 1721-1736. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT(CZ) LH11033; GA ČR GAP208/10/0559; GA ČR GAP208/11/0105
Grant - others:Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR(CZ) M200550902
Institutional support: RVO:61388963
Keywords : density-functional theory * Raman optical activity * vibrational circular dichroism * residual dipolar couplings * crystal structure
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.775, year: 2013
Permanent Link: http://hdl.handle.net/11104/0221321 - 7.0383282 - 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 - 8.0377389 - ÚOCHB 2013 RIV US eng J - Journal Article
Hudecová, Jana - Hopmann, K. H. - Bouř, Petr
Correction of Vibrational Broadening in Molecular Dynamics Clusters with the Normal Mode Optimization Method.
Journal of Physical Chemistry B. Roč. 116, č. 1 (2012), s. 336-342. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:GA UK(CZ) 126310
Institutional research plan: CEZ:AV0Z40550506
Keywords : molecular clusters * molecular dynamics * normal mode optimization * vibrational spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.607, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007006 - 9.0377378 - ÚOCHB 2013 RIV US eng J - Journal Article
Li, X. - Hopmann, K. H. - Hudecová, Jana - Stensen, W. - Novotná, J. - Urbanová, M. - Svendsen, J. S. - Bouř, Petr - Ruud, K.
Absolute Configuration of a Cyclic Dipeptide Reflected in Vibrational Optical Activity: Ab Initio and Experimental Investigation.
Journal of Physical Chemistry A. Roč. 116, č. 10 (2012), s. 2554-2563. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : cyclic dipeptide * vibrational otpical activity * density functional theory * dispersion * electronic circular dichroism
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.771, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007004