Search results
- 1.0475348 - ÚOCHB 2018 RIV GB eng J - Journal Article
Štěpánek, Petr - Coriani, S. - Sundholm, D. - Ovchinnikov, V. A. - Vaara, J.
Relation between molecular electronic structure and nuclear spin-induced circular dichroism.
Scientific Reports. Roč. 7, Apr 24 (2017), č. článku 46617. ISSN 2045-2322. E-ISSN 2045-2322
R&D Projects: GA ČR GA13-03978S
Institutional support: RVO:61388963
Keywords : induced optical rotation * NMR spectroscopy * magnetic field
OECD category: Physical chemistry
Impact factor: 4.122, year: 2017
https://www.nature.com/articles/srep46617
Permanent Link: http://hdl.handle.net/11104/0272172 - 2.0475312 - ÚOCHB 2018 RIV US eng J - Journal Article
Kaminský, Jakub - Kříž, Jan - Bouř, Petr
On the magnetic circular dichroism of benzene. A density-functional study.
Journal of Chemical Physics. Roč. 146, č. 14 (2017), č. článku 144301. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA16-05935S
Institutional support: RVO:61388963
Keywords : magnetic circular dichroism * benzene * DFT
OECD category: Physical chemistry
Impact factor: 2.843, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272147 - 3.0463895 - ÚOCHB 2017 RIV DE eng J - Journal Article
Štěpánek, P. - Cowie, T. Y. - Šafařík, Martin - Šebestík, Jaroslav - Pohl, Radek - Bouř, Petr
Resolving Electronic Transitions in Synthetic Fluorescent Protein Chromophores by Magnetic Circular Dichroism.
ChemPhysChem. Roč. 17, č. 15 (2016), s. 2348-2354. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA16-05935S
Institutional support: RVO:61388963
Keywords : density functional calculations * fluorescence protein chromophores * magnetic circular dichroism * organic synthesis * spectral simulations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.075, year: 2016
Permanent Link: http://hdl.handle.net/11104/0262978 - 4.0463538 - ÚOCHB 2017 RIV US eng J - Journal Article
Novák, Vít - Dendisová, M. - Matějka, P. - Bouř, Petr
Explanation of Surface-Enhanced Raman Scattering Intensities of p-Aminobenzenethiol by Density Functional Computations.
Journal of Physical Chemistry C. Roč. 120, č. 32 (2016), s. 18275-18280. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA16-05935S
Institutional support: RVO:61388963
Keywords : SERS spectroscopy * consistent pseudopotentials * Ag nanoparticles
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.536, year: 2016
Permanent Link: http://hdl.handle.net/11104/0262709 - 5.0461398 - ÚOCHB 2017 RIV CZ cze J - Journal Article
Straka, Michal - Bouř, Petr
Spektroskopický výzkum fullerenů a počítačové simulace.
[Spectroscopic Research of Fullerenes and Computer Simulations.]
Chemické listy. Roč. 110, č. 5 (2016), s. 344-353. ISSN 0009-2770. E-ISSN 1213-7103
R&D Projects: GA ČR(CZ) GA14-03564S; GA ČR GA13-03978S
Institutional support: RVO:61388963
Keywords : fullerenes * nuclear magnetic resonance * magnetic circular dichroism * nuclear spin circular dichroism * density functional theory
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.387, year: 2016
http://www.chemicke-listy.cz/docs/full/2016_05_344-353.pdf
Permanent Link: http://hdl.handle.net/11104/0260999 - 6.0459012 - ÚOCHB 2017 RIV NL eng J - Journal Article
Štěpánek, Petr - Straka, Michal - Šebestík, Jaroslav - Bouř, Petr
Magnetic circular dichroism of chlorofullerenes: Experimental and computational study.
Chemical Physics Letters. Roč. 647, Mar (2016), s. 117-121. ISSN 0009-2614. E-ISSN 1873-4448
R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA14-03564S
Institutional support: RVO:61388963
Keywords : chlorofullerenes * magnetic circular dichroism * density functional theory
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.815, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259212 - 7.0459002 - ÚOCHB 2017 RIV DE eng J - Journal Article
Šebestík, Jaroslav - Kapitán, J. - Pačes, Ondřej - Bouř, Petr
Diamagnetic Raman Optical Activity of Chlorine, Bromine, and Iodine Gases.
Angewandte Chemie - International Edition. Roč. 55, č. 10 (2016), s. 3504-3508. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA14-00431S; GA ČR(CZ) GA16-05935S
Institutional support: RVO:61388963
Keywords : angular momentum theory * diamagnetic molecules * excited electronic states * magnetic field * Raman optical activity
Subject RIV: CC - Organic Chemistry
Impact factor: 11.994, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259198 - 8.0458820 - ÚOCHB 2017 RIV US eng J - Journal Article
Kaminský, Jakub - Jensen, F.
Conformational Interconversions of Amino Acid Derivatives.
Journal of Chemical Theory and Computation. Roč. 12, č. 2 (2016), s. 694-705. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA13-03978S; GA ČR(CZ) GA14-03564S; GA ČR(CZ) GA16-00270S
Institutional support: RVO:61388963
Keywords : amino acids * force fields * transition states
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.245, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259054 - 9.0455954 - ÚOCHB 2016 RIV DE eng J - Journal Article
Wu, Tao - Kapitán, J. - Mašek, V. - Bouř, Petr
Detection of Circularly Polarized Luminescence of a Cs-Eu-III Complex in Raman Optical Activity Experiments.
Angewandte Chemie - International Edition. Roč. 54, č. 49 (2015), s. 14933-14936. ISSN 1433-7851. E-ISSN 1521-3773
R&D Projects: GA ČR GAP208/11/0105; GA ČR GA13-03978S; GA ČR GA15-09072S; GA MŠMT(CZ) LO1304
Institutional support: RVO:61388963
Keywords : chiral fluorescent chromophores * circularly polarized luminescence * lanthanides * Raman imaging * Raman optical activity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 11.709, year: 2015
Permanent Link: http://hdl.handle.net/11104/0256542 - 10.0452695 - ÚFCH JH 2017 RIV GB eng J - Journal Article
Melcrová, Adéla - Kessler, Jiří - Bouř, Petr - Kaminský, Jakub
Simulation of Raman optical activity of multi-component monosaccharide samples.
Physical Chemistry Chemical Physics. Roč. 18, č. 3 (2016), s. 2130-2142. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA ČR(CZ) GA14-03564S; GA ČR GA15-09072S; GA ČR(CZ) GA16-00270S; GA ČR GA13-03978S
Grant - others:GA MŠk(CZ) LM2010005
Institutional support: RVO:61388955 ; RVO:61388963
Keywords : NORMAL-MODE OPTIMIZATION * VIBRATIONAL RAMAN * ACTIVITY SPECTRA
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.123, year: 2016
Permanent Link: http://hdl.handle.net/11104/0256888File Download Size Commentary Version Access 0452695.pdf 0 3.5 MB Publisher’s postprint require