Search results
- 1.0360476 - ÚOCHB 2012 RIV US eng J - Journal Article
Jagoda-Cwiklik, Barbara - Cwiklik, Lukasz - Jungwirth, Pavel
Behavior of the Eigen Form of Hydronium at the Air/Water Interface.
Journal of Physical Chemistry A. Roč. 115, č. 23 (2011), s. 5881-5886. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : hydronium * air/water interface * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.946, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006486 - 2.0343338 - ÚOCHB 2011 RIV US eng J - Journal Article
Monreal, I. A. - Jagoda-Cwiklik, Barbara - Cwiklik, Lukasz - Devlin, J. P.
Classical to Nonclassical Transition of Ether-HCN Clathrate Hydrates at Low Temperature.
Journal of Physical Chemistry Letters. Roč. 1, č. 1 (2010), s. 290-294. ISSN 1948-7185
Grant - others:NSF(US) CHE-0809480; NSF(US) CHE-0649162
Institutional research plan: CEZ:AV0Z40550506
Keywords : clathrate hydrate * molecular dynamics * IR spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.000, year: 2010
Permanent Link: http://hdl.handle.net/11104/0185842 - 3.0322836 - ÚOCHB 2009 RIV NL eng J - Journal Article
Vlachy, N. - Jagoda-Cwiklik, Barbara - Vácha, Robert - Touraud, D. - Jungwirth, Pavel - Kunz, W.
Hofmeister series and specific interactions of charged headgroups with aqueous ions.
[Hofmeisterova řada a specifické interakce nabitých skupin s vodnými ionty.]
Advances in Colloid and Interface Science. Roč. 146, 1/2 (2009), s. 42-47. ISSN 0001-8686. E-ISSN 1873-3727
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114; GA ČR(CZ) GD203/05/H001
Institutional research plan: CEZ:AV0Z40550506
Keywords : Hofmeister series * specific ion effects * molecular dynamics
Subject RIV: CC - Organic Chemistry
Impact factor: 5.675, year: 2009
Permanent Link: http://hdl.handle.net/11104/0170977 - 4.0312702 - ÚOCHB 2009 RIV US eng J - Journal Article
Aziz, E. F. - Ottosson, N. - Eisebitt, S. - Eberhardt, W. - Jagoda-Cwiklik, Barbara - Vácha, Robert - Jungwirth, Pavel - Winter, B.
Cation-specific interactions with carboxylate in amino acid and acetate aqueous solutions: X-ray absorption and ab initio calculations.
[Kationtově specifické interakce s karboxylátem v hydratované aminokyselině a v acetátu: X-paprsková absorpce a ab initio výpočty.]
Journal of Physical Chemistry B. Roč. 112, č. 40 (2008), s. 12567-12570. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : ions * water cluster * methanol * ab initio calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.189, year: 2008
Permanent Link: http://hdl.handle.net/11104/0004761 - 5.0309418 - ÚOCHB 2009 RIV US eng J - Journal Article
Jagoda-Cwiklik, Barbara - Slavíček, P. - Nolting, D. - Winter, B. - Jungwirth, Pavel
Ionization of aqueous cations: Photoelectron spectroscopy and ab initio calculations of protonated imidazole.
[Ionizace vodných kationtů: Fotoelektronová spektroskopie a ab initio výpočty protonovaného imidazolu.]
Journal of Physical Chemistry B. Roč. 112, č. 25 (2008), s. 7355-7358. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/07/1006
Grant - others:DFG(DE) WI1327/3-1; GA ČR(CZ) GP203/07/P449
Institutional research plan: CEZ:AV0Z40550506
Keywords : protenated imidazole * ab initio calculations * photoelectron spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.189, year: 2008
Permanent Link: http://hdl.handle.net/11104/0004658 - 6.0306811 - ÚOCHB 2008 RIV US eng J - Journal Article
Jagoda-Cwiklik, Barbara - Slavíček, P. - Cwiklik, Lukasz - Nolting, D. - Winter, B. - Jungwirth, Pavel
Ionization of imidazole in the gas phase, microhydrated environments, and in aqueous solution.
[Ionizace imidazolu v plynné fázi, při mikrohydrataci a ve vodném roztoku.]
Journal of Physical Chemistry A. Roč. 112, č. 16 (2008), s. 3499-3505. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA ČR GA203/07/1006
Grant - others:GA ČR(CZ) GP203/07/P449
Institutional research plan: CEZ:AV0Z40550506
Keywords : imidazole * ab initio calculations * molecular dynamics * photoelectron spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.871, year: 2008
Permanent Link: http://hdl.handle.net/11104/0004584 - 7.0305607 - ÚOCHB 2008 RIV US eng J - Journal Article
Jagoda-Cwiklik, Barbara - Wang, X. B. - Woo, H. K. - Yang, J. - Wang, G. J. - Zhou, M. - Jungwirth, Pavel - Wang, L. S.
Microsolvation of the dicyanamide anion: [N(CN)2-] (H2O)n (n=0-12).
[Mikrosolvatace dikyanoamidového aniontu: [N(CN)2-](H2O)n (n=0-12).]
Journal of Physical Chemistry A. Roč. 111, - (2007), s. 7719-7725. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512; GA MŠMT ME 644
Grant - others:NSF(US) CHE-0431512; NSF(US) CHE-0209719; NNSF(CN) 20528303
Institutional research plan: CEZ:AV0Z40550506
Keywords : photoelectron spectroscopy * ab initio calculations * ion solvation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.918, year: 2007
Permanent Link: http://hdl.handle.net/11104/0004539 - 8.0093892 - ÚOCHB 2008 RIV US eng J - Journal Article
Jagoda-Cwiklik, Barbara - Vácha, Robert - Lund, Mikael - Srebro, M. - Jungwirth, Pavel
Ion pairing as a possible clue for discriminating between sodium and potassium in biological and other complex environments.
[Iontové párování jako možný klíč k diskriminaci mezi sodíkem a draslíkem v biologických a dalších komplexních prosředích.]
Journal of Physical Chemistry B. Roč. 111, č. 51 (2007), s. 14077-14079. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA AV ČR IAA400400503; GA ČR(CZ) GD203/05/H001
Institutional research plan: CEZ:AV0Z40550506
Keywords : ion pairs * molecular dynamics * ab initio calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.086, year: 2007
Permanent Link: http://hdl.handle.net/11104/0004373 - 9.0091849 - ÚOCHB 2008 RIV NL eng J - Journal Article
Jagoda-Cwiklik, Barbara - Cwiklik, Lukasz
Coarse grain simulations of the influence of adsorbate-adsorbate interactions on adsorption and diffusion of n-butane in silicalite-1.
[Zhrubené simulace vlivu interakce adsorbát-adsorbát na difúzi n-butanu v silikátu-1.]
Chemical Physics Letters. Roč. 445, 1/3 (2007), s. 42-46. ISSN 0009-2614. E-ISSN 1873-4448
Institutional research plan: CEZ:AV0Z40550506
Keywords : Monte Carlo * adsorption * difusion
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.207, year: 2007
Permanent Link: http://hdl.handle.net/11104/0004318 - 10.0084308 - ÚOCHB 2008 RIV DE eng J - Journal Article
Jagoda-Cwiklik, Barbara - Jungwirth, Pavel - Rulíšek, Lubomír - Milko, Petr - Roithová, Jana - Lemaire, J. - Maitre, P. - Ortega, J. M. - Schröder, Detlef
Micro-hydration of the MgNO3 + cation in the gas phase.
[Mkrohydratace MgNO3+ kationtu v plynné fázi.]
ChemPhysChem. Roč. 8, č. 11 (2007), s. 1629-1639. ISSN 1439-4235. E-ISSN 1439-7641
R&D Projects: GA MŠMT LC512; GA ČR GA203/07/1006
Grant - others:EPITOPES(XE) EC15637 FP6
Institutional research plan: CEZ:AV0Z40550506
Keywords : mas spectrometry * ab initio calculations * molecular cations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.502, year: 2007
Permanent Link: http://hdl.handle.net/11104/0147250