Search results
- 1.0388661 - ÚOCHB 2013 RIV DE eng J - Journal Article
Standara, Stanislav - Kulhánek, P. - Marek, R. - Horníček, Jan - Bouř, Petr - Straka, Michal
Simulations of Xe-129 NMR chemical shift of atomic xenon dissolved in liquid benzene.
Theoretical Chemistry Accounts. Roč. 129, 3/5 (2011), s. 677-684. ISSN 1432-881X. E-ISSN 1432-2234
R&D Projects: GA ČR GA203/09/2037; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902; European Reintegration Grant(XE) 230955; European Community(XE) 205872
Institutional research plan: CEZ:AV0Z40550506
Keywords : Xe-129 NMR chemical shift * dynamical averaging * density functional theory * Breit-Pauli perturbation theory * relativistic effects
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.162, year: 2011
Permanent Link: http://hdl.handle.net/11104/0217658 - 2.0383282 - 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 - 3.0368252 - ÚEB 2012 RIV CH eng J - Journal Article
Jurček, Ondřej - Ikonen, S. - Buřičová, Lucie - Wimmerová, Martina - Wimmer, Zdeněk - Drašar, P. - Horníček, Jan - Galandáková, A. - Ulrichová, J. - Kolehmainen, E. T.
Succinobucol’s New Coat - Conjugation with Steroids to Alter Its Drug Effect and Bioavailability.
Molecules. Roč. 16, č. 11 (2011), s. 9404-9420. E-ISSN 1420-3049
R&D Projects: GA MŠMT 2B06024; GA MŠMT(CZ) OC10001; GA ČR GA203/09/2037
Institutional research plan: CEZ:AV0Z50380511; CEZ:AV0Z40550506
Keywords : succinobucol * phytosterol * atherosclerosis
Subject RIV: CC - Organic Chemistry
Impact factor: 2.386, year: 2011
Permanent Link: http://hdl.handle.net/11104/0202647 - 4.0343343 - ÚOCHB 2011 RIV US eng J - Journal Article
Horníček, Jan - Dvořáková, H. - Bouř, Petr
Intramolecular Proton Transfer in Calixphyrin Derivatives.
Journal of Physical Chemistry A. Roč. 114, č. 10 (2010), s. 3649-3654. 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 : porphyrins * calixphyrin * hydrogen transfer * potential energy surface
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005910 - 5.0332547 - ÚOCHB 2010 RIV US eng J - Journal Article
Andrushchenko, Valery - Matějka, P. - Anderson, D. T. - Kaminský, Jakub - Horníček, Jan - Paulson, L. O. - Bouř, Petr
Solvent dependence of the N-methylacetamide structure and force field.
Journal of Physical Chemistry A. Roč. 113, č. 35 (2009), s. 9727-9736. 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 spectroscopy * infrared * anharmonic
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005544 - 6.0087183 - ÚOCHB 2008 RIV US eng J - Journal Article
Horníček, Jan - Kaprálová, Petra - Bouř, Petr
Simulations of vibrational spectra from classical trajectories: Calibration with ab initio force fields.
[Simulace vibračních specter z klasických trajektorií. Kalibrace s ab initio silovými poli.]
Journal of Chemical Physics. Roč. 127, č. 8 (2007), 084502-1. 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 : infrared absorption * vibrational circular dichroism * Raman optical activity * Raman
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.044, year: 2007
Permanent Link: http://hdl.handle.net/11104/0149091