Search results
- 1.0459029 - ÚOCHB 2017 RIV US eng J - Journal Article
Pluhařová, Eva - Baer, M. D. - Schenter, G. K. - Jungwirth, Pavel - Mundy, C. J.
Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction.
Journal of Physical Chemistry B. Roč. 120, č. 8 (2016), s. 1749-1758. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GBP208/12/G016
Institutional support: RVO:61388963
Keywords : molecular dynamics * ion pairing kinetics * lithium fluoride
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.177, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259233 - 2.0444896 - ÚOCHB 2016 RIV US eng J - Journal Article
Kohagen, Miriam - Pluhařová, E. - Mason, Philip E. - Jungwirth, Pavel
Exploring Ion-Ion Interactions in Aqueous Solutions by a Combination of Molecular Dynamics and Neutron Scattering.
Journal of Physical Chemistry Letters. Roč. 6, č. 9 (2015), s. 1563-1567. ISSN 1948-7185
R&D Projects: GA ČR GBP208/12/G016
Institutional support: RVO:61388963
Keywords : ion pairing * molecular dynamics * neutron scattering
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 8.539, year: 2015
http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.5b00060
Permanent Link: http://hdl.handle.net/11104/0247347 - 3.0421958 - ÚOCHB 2014 RIV US eng J - Journal Article
Pluhařová, Eva - Maršálek, Ondřej - Schmidt, B. - Jungwirth, Pavel
Ab initio molecular dynamics approach to a quantitative description of ion pairing in water.
Journal of Physical Chemistry Letters. Roč. 4, č. 23 (2013), s. 4177-4181. ISSN 1948-7185
R&D Projects: GA ČR GBP208/12/G016
Institutional support: RVO:61388963
Keywords : ion pairing * charge transfer * water * ab initio molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.687, year: 2013
Permanent Link: http://hdl.handle.net/11104/0228270 - 4.0379006 - ÚOCHB 2013 RIV US eng J - Journal Article
Vazdar, Mario - Uhlig, Frank - Jungwirth, Pavel
Like-Charge Ion Pairing in Water: An Ab Initio Molecular Dynamics Study of Aqueous Guanidinium Cations.
Journal of Physical Chemistry Letters. Roč. 3, č. 15 (2012), s. 2021-2024. ISSN 1948-7185
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : guanidinium * ion pairing * ab initio molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.585, year: 2012
Permanent Link: http://hdl.handle.net/11104/0210294 - 5.0376619 - ÚOCHB 2013 RIV DE eng J - Journal Article
Wernersson, Erik - Heyda, Jan - Kubíčková, A. - Křížek, T. - Coufal, P. - Jungwirth, Pavel
Counterion condensation in short cationic peptides: Limiting mobilities beyond the Onsager–Fuoss theory.
Electrophoresis. Roč. 33, č. 6 (2012), s. 981-989. ISSN 0173-0835. E-ISSN 1522-2683
R&D Projects: GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : background electrolyte effects * counterion condensation * ion-pairing * limiting mobility * molecular modeling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.261, year: 2012
Permanent Link: http://hdl.handle.net/11104/0208974 - 6.0345889 - ÚOCHB 2011 RIV US eng J - Journal Article
Heyda, Jan - Mason, P. E. - Jungwirth, Pavel
Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water.
Journal of Physical Chemistry B. Roč. 114, č. 26 (2010), s. 8744-8749. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : molecular dynamics * histidine * ion pairing
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005961 - 7.0342594 - ÚOCHB 2011 RIV US eng J - Journal Article
Callahan, K. M. - Casillas-Ituarte, N. N. - Roeselová, Martina - Allen, H. C. - Tobias, D. J.
Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions.
Journal of Physical Chemistry A. Roč. 114, č. 15 (2010), s. 5141-5148. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA MŠMT ME09064
Institutional research plan: CEZ:AV0Z40550506
Keywords : potential of mean force * ion pairing
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005874 - 8.0342501 - ÚOCHB 2011 RIV US eng J - Journal Article
Lund, M. - Jagoda-Cwiklik, B. - Woodward, C. E. - Vácha, Robert - Jungwirth, Pavel
Dielectric Interpretation of Specificity of Ion Pairing in Water.
Journal of Physical Chemistry Letters. Roč. 1, č. 1 (2010), s. 300-303. ISSN 1948-7185
R&D Projects: GA ČR(CZ) GD203/05/H001; GA ČR GA203/08/0114; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : ion pairing * hydration * dielectric model
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.000, year: 2010
Permanent Link: http://hdl.handle.net/11104/0185220 - 9.0306496 - ÚOCHB 2008 RIV US eng J - Journal Article
Lund, Mikael - Vácha, Robert - Jungwirth, Pavel
Specific ion binding to macromolecules: Effects of hydrophobicity and ion pairing.
[Specifická vazba iontů k makromolekulám: Efekt hydrofobicity a iontového párování.]
Langmuir. Roč. 24, č. 7 (2008), s. 3387-3391. ISSN 0743-7463
R&D Projects: GA MŠMT LC512; GA ČR(CZ) GD203/05/H001
Institutional research plan: CEZ:AV0Z40550506
Keywords : ion pairing * hydrophobicity * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.097, year: 2008
Permanent Link: http://hdl.handle.net/11104/0004576 - 10.0102541 - FGU-C 20040069 RIV NL eng J - Journal Article
Mikšík, Ivan - Charvátová, Jana - Eckhardt, Adam - Cserháti, T. - Forgács, E. - Deyl, Zdeněk
Capillary electrophoretic separation of proteins and peptides by ion-pairing with heptanesulfonic acid.
[Kapilární elektroforetická separace proteinů a peptidů pomocí iontového párování kyselinou heptansulfonovou.]
Journal of Chromatography B-Analytical Technologies in the Biomedical and Life Sciences. Roč. 800, 1-2 (2004), s. 161-167. ISSN 1570-0232. E-ISSN 1873-376X
R&D Projects: GA ČR GA203/02/1467; GA ČR GA203/03/0716
Institutional research plan: CEZ:AV0Z5011922
Keywords : ion-pairing reagents * peptides * proteins
Subject RIV: CB - Analytical Chemistry, Separation
Impact factor: 2.176, year: 2004
Permanent Link: http://hdl.handle.net/11104/0009889