Search results
- 1.0392468 - 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 - 2.0377390 - ÚOCHB 2013 RIV US eng J - Journal Article
Hopmann, K. H. - Šebestík, Jaroslav - Novotná, J. - Stensen, W. - Urbanová, M. - Svenson, J. - Svendsen, J. S. - Bouř, Petr - Ruud, K.
Determining the Absolute Configuration of Two Marine Compounds Using Vibrational Chiroptical Spectroscopy.
Journal of Organic Chemistry. Roč. 77, č. 2 (2012), s. 858-869. ISSN 0022-3263. E-ISSN 1520-6904
R&D Projects: GA ČR GAP208/11/0105; GA MŠMT(CZ) LH11033
Institutional research plan: CEZ:AV0Z40550506
Keywords : vibrational circular dichroism * Raman optical activity * absolute configuration * bioprospecting
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.564, year: 2012
Permanent Link: http://hdl.handle.net/11104/0209557 - 3.0377389 - 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 - 4.0377378 - 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 - 5.0360785 - ÚOCHB 2012 RIV US eng J - Journal Article
Hopmann, K. H. - Ruud, K. - Pecul, M. - Kudelski, A. - Dračínský, Martin - Bouř, Petr
Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra.
Journal of Physical Chemistry B. Roč. 115, č. 14 (2011), s. 4128-4137. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) LH11033; GA ČR GAP208/11/0105
Grant - others:AV ČR(CZ) M200550902
Institutional research plan: CEZ:AV0Z40550506
Keywords : raman optical activity * lactamide * solvent models
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.696, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006500