Search results
- 1.0492893 - ÚOCHB 2019 RIV US eng J - Journal Article
Keiderling, T. A. - Bouř, Petr
Theory of Molecular Vibrational Zeeman Effects as Measured with Circular Dichroism.
Physical Review Letters. Roč. 121, č. 7 (2018), č. článku 073201. ISSN 0031-9007. E-ISSN 1079-7114
R&D Projects: GA ČR(CZ) GA16-05935S
Institutional support: RVO:61388963
Keywords : density functional theory * ab initio calculation * atomic axial tensors
OECD category: Physical chemistry
Impact factor: 9.227, year: 2018
Permanent Link: http://hdl.handle.net/11104/0286352 - 2.0491879 - ÚOCHB 2019 RIV GB eng J - Journal Article
Zajac, G. - Machalska, E. - Kaczor, A. - Kessler, Jiří - Bouř, Petr - Baranska, M.
Structure of supramolecular astaxanthin aggregates revealed by molecular dynamics and electronic circular dichroism spectroscopy.
Physical Chemistry Chemical Physics. Roč. 20, č. 26 (2018), s. 18038-18046. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA16-05935S
Institutional support: RVO:61388963
Keywords : Raman optical activity * differential overlap technique * intermediate neglect
OECD category: Physical chemistry
Impact factor: 3.567, year: 2018
https://pubs.rsc.org/en/content/articlehtml/2018/cp/c8cp01742e
Permanent Link: http://hdl.handle.net/11104/0285483File Download Size Commentary Version Access 0491879.pdf 3 3.3 MB Publisher’s postprint open-access - 3.0489710 - ÚOCHB 2019 RIV GB eng J - Journal Article
Pramanik, Goutam - Humpolíčková, Jana - Valenta, J. - Kundu, P. - Bals, S. - Bouř, Petr - Dračínský, Martin - Cígler, Petr
Gold nanoclusters with bright near-infrared photoluminescence.
Nanoscale. Roč. 10, č. 8 (2018), s. 3792-3798. ISSN 2040-3364. E-ISSN 2040-3372
R&D Projects: GA ČR(CZ) GA16-05935S; GA MŠMT(CZ) LTC17012; GA ČR(CZ) GA18-12533S
Institutional support: RVO:61388963
Keywords : aggregation-induced emission * excited state behavior * quantum yield
OECD category: Physical chemistry
Impact factor: 6.970, year: 2018
http://pubs.rsc.org/en/content/articlehtml/2018/nr/c7nr06050e
Permanent Link: http://hdl.handle.net/11104/0284075 - 4.0489618 - ÚOCHB 2019 RIV GB eng J - Journal Article
Kessler, Jiří - Andrushchenko, Valery - Kapitán, J. - Bouř, Petr
Insight into vibrational circular dichroism of proteins by density functional modeling.
Physical Chemistry Chemical Physics. Roč. 20, č. 7 (2018), s. 4926-4935. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) LTC17012; GA ČR(CZ) GA16-05935S; GA ČR(CZ) GA16-04902S; GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : Raman optical activity * molecular property tensors * coupled oscillator model
OECD category: Physical chemistry
Impact factor: 3.567, year: 2018
https://pubs.rsc.org/en/content/articlehtml/2018/cp/c7cp08016f
Permanent Link: http://hdl.handle.net/11104/0284005 - 5.0483851 - ÚOCHB 2018 RIV US eng J - Journal Article
Kaminský, Jakub - Chalupský, Jakub - Štěpánek, P. - Kříž, Jan - Bouř, Petr
Vibrational Structure in Magnetic Circular Dichroism Spectra of Polycyclic Aromatic Hydrocarbons.
Journal of Physical Chemistry A. Roč. 121, č. 47 (2017), s. 9064-9073. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA15-19143S; GA ČR(CZ) GA16-05935S; GA ČR(CZ) GA16-00270S
Institutional support: RVO:61388963
Keywords : magnetic circular dichroism * polycyclic aromatic hydrocarbons * DFT
OECD category: Physical chemistry
Impact factor: 2.836, year: 2017
Permanent Link: http://hdl.handle.net/11104/0279010 - 6.0480247 - ÚOCHB 2018 RIV US eng J - Journal Article
Jungwirth, Jakub - Šebestík, Jaroslav - Šafařík, Martin - Kapitán, J. - Bouř, Petr
Quantitative Determination of Ala-Ala Conformer Ratios in Solution by Decomposition of Raman Optical Activity Spectra.
Journal of Physical Chemistry B. Roč. 121, č. 38 (2017), s. 8956-8964. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GA16-05935S; GA MŠMT(CZ) LTC17012
Grant - others:COST(XE) CA15214
Institutional support: RVO:61388963
Keywords : density functional theory * vibrational circular dichroism * ab initio calculation
OECD category: Physical chemistry
Impact factor: 3.146, year: 2017
Permanent Link: http://hdl.handle.net/11104/0276100 - 7.0478538 - ÚOCHB 2018 RIV DE eng J - Journal Article
Fagan, P. - Kocourková, L. - Tatarkovič, M. - Králík, F. - Kuchař, M. - Setnička, V. - Bouř, Petr
Cocaine Hydrochloride Structure in Solution Revealed by Three Chiroptical Methods.
ChemPhysChem. Roč. 18, č. 16 (2017), s. 2258-2265. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA ČR(CZ) GA16-05935S; GA MŠMT(CZ) LTC17012
Institutional support: RVO:61388963
Keywords : analytical methods * circular dichroism * density functional calculations * Raman spectroscopy * structure elucidation
OECD category: Physical chemistry
Impact factor: 2.947, year: 2017
Permanent Link: http://hdl.handle.net/11104/0274636 - 8.0476008 - ÚOCHB 2018 RIV GB eng J - Journal Article
Kessler, Jiří - Yamamoto, S. - Bouř, Petr
Establishing the link between fibril formation and Raman optical activity spectra of insulin.
Physical Chemistry Chemical Physics. Roč. 19, č. 21 (2017), s. 13614-13621. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA16-05935S; GA ČR GA15-09072S
Grant - others:COST(XE) CA15214
Institutional support: RVO:61388963
Keywords : molecular dynamics clusters * absolute configuration * vibrational spectra
OECD category: Physical chemistry
Impact factor: 3.906, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272581 - 9.0475360 - ÚOCHB 2018 RIV US eng J - Journal Article
Wu, Tao - Kapitán, J. - Andrushchenko, Valery - Bouř, Petr
Identification of Lanthanide(III) Luminophores in Magnetic Circularly Polarized Luminescence Using Raman Optical Activity Instrumentation.
Analytical Chemistry. Roč. 89, č. 9 (2017), s. 5043-5049. ISSN 0003-2700. E-ISSN 1520-6882
R&D Projects: GA ČR(CZ) GJ16-08764Y; GA ČR GA15-09072S; GA ČR(CZ) GA16-05935S
Institutional support: RVO:61388963
Keywords : rare earth ions * photophysical properties * europium(III) complexes
OECD category: Physical chemistry
Impact factor: 6.042, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272181 - 10.0475337 - ÚOCHB 2018 RIV US eng J - Journal Article
Kaminský, Jakub - Vícha, J. - Bouř, Petr - Straka, Michal
Properties of the Only Thorium Fullerene, Th@C-84, Uncovered.
Journal of Physical Chemistry A. Roč. 121, č. 16 (2017), s. 3128-3135. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR(CZ) GA16-05935S; GA ČR(CZ) GA17-07091S
Institutional support: RVO:61388963
Keywords : thorium fullerene * electronic structure * UV-vis
OECD category: Physical chemistry
Impact factor: 2.836, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272164