Search results
- 1.0519366 - FZÚ 2020 RIV US eng J - Journal Article
Pasciak, Marek - Ondrejkovič, Petr - Kulda, J. - Vaněk, Přemysl - Drahokoupil, Jan - Steciuk, Gwladys - Palatinus, Lukáš - Welberry, T.R. - Fischer, H. E. - Hlinka, Jiří - Buixaderas, Elena
Local structure of relaxor ferroelectric SrxBa1-xNb2O6 from a pair distribution function analysis.
Physical Review B. Roč. 99, č. 10 (2019), s. 1-12, č. článku 104102. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA ČR GA16-09142S
Institutional support: RVO:68378271
Keywords : relaxor ferroelectrics * disorder * pair distribution function analysis
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.575, year: 2019
Method of publishing: Limited access
https://doi.org/10.1103/physrevb.99.104102
Permanent Link: http://hdl.handle.net/11104/0304360 - 2.0519109 - ÚOCHB 2020 RIV US eng J - Journal Article
Mason, Philip E. - Tavagnacco, L. - Saboungi, M. L. - Hansen, T. - Fischer, H. E. - Neilson, G. W. - Ichiye, T. - Brady, J. W.
Molecular Dynamics and Neutron Scattering Studies of Potassium Chloride in Aqueous Solution.
Journal of Physical Chemistry B. Roč. 123, č. 50 (2019), s. 10807-10813. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT(CZ) EF16_019/0000729
Institutional support: RVO:61388963
Keywords : liquid water * solvation * diffraction
OECD category: Physical chemistry
Impact factor: 2.857, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.9b08422
Permanent Link: http://hdl.handle.net/11104/0304131 - 3.0491778 - ÚOCHB 2019 RIV US eng J - Journal Article
Martinek, Tomáš - Duboué-Dijon, Elise - Timr, Štěpán - Mason, Philip E. - Baxová, Katarína - Fischer, H. E. - Schmidt, B. - Pluhařová, Eva - Jungwirth, Pavel
Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering.
Journal of Chemical Physics. Roč. 148, č. 22 (2018), č. článku 222813. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GBP208/12/G016; GA ČR GJ17-01982Y
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : solvation structure * chloride-ion * Ca2+
OECD category: Physical chemistry; Physical chemistry (UFCH-W)
Impact factor: 2.997, year: 2018
Permanent Link: http://hdl.handle.net/11104/0285521File Download Size Commentary Version Access 0491778.pdf 3 2.1 MB Publisher’s postprint open-access - 4.0489930 - ÚOCHB 2019 RIV US eng J - Journal Article
Duboué-Dijon, Elise - Mason, Philip E. - Fischer, H. E. - Jungwirth, Pavel
Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations.
Journal of Physical Chemistry B. Roč. 122, č. 13 (2018), s. 3296-3306. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GA16-01074S
Institutional support: RVO:61388963
Keywords : zinc * magnesium * neutron scattering * molecular dynamics
OECD category: Physical chemistry
Impact factor: 2.923, year: 2018
Permanent Link: http://hdl.handle.net/11104/0284228 - 5.0475774 - ÚOCHB 2018 RIV US eng J - Journal Article
Duboué-Dijon, Elise - Mason, Philip E. - Fischer, H. E. - Jungwirth, Pavel
Changes in the hydration structure of imidazole upon protonation: Neutron scattering and molecular simulations.
Journal of Chemical Physics. Roč. 146, č. 18 (2017), č. článku 185102. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR(CZ) GBP208/12/G016
Institutional support: RVO:61388963
Keywords : imidazole protonation * molecular dynamics * neutron scattering
OECD category: Physical chemistry
Impact factor: 2.843, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272404 - 6.0445362 - ÚOCHB 2016 RIV US eng J - Journal Article
Hladílková, Jana - Fischer, H. E. - Jungwirth, Pavel - Mason, Philip E.
Hydration of Hydroxyl and Amino Groups Examined by Molecular Dynamics and Neutron Scattering.
Journal of Physical Chemistry B. Roč. 119, č. 21 (2015), s. 6357-6365. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR GBP208/12/G016
Institutional support: RVO:61388963
Keywords : neutron scattering * molecular dynamics * isopropyl alcohol * isopropylamine
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.187, year: 2015
Permanent Link: http://hdl.handle.net/11104/0247679 - 7.0429520 - ÚOCHB 2015 RIV GB eng J - Journal Article
Pluhařová, Eva - Fischer, H. E. - Mason, Philip E. - Jungwirth, Pavel
Hydration of the chloride ion in concentrated aqueous solutions using neutron scattering and molecular dynamics.
Molecular Physics. Roč. 112, 9/10 (2014), s. 1230-1240. ISSN 0026-8976. E-ISSN 1362-3028
R&D Projects: GA ČR GBP208/12/G016; GA MŠMT LH12001
Grant - others:GA MŠk(CZ) LM2010005
Institutional support: RVO:61388963
Keywords : lithium * solution * molecular dynamics * chloride * neutron scattering
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.720, year: 2014
Permanent Link: http://hdl.handle.net/11104/0234686 - 8.0350694 - ÚOCHB 2011 RIV US eng J - Journal Article
Mason, P. E. - Heyda, Jan - Fischer, H. E. - Jungwirth, Pavel
Specific Interactions of Ammonium Functionalities in Amino Acids with Aqueous Fluoride and Iodide.
Journal of Physical Chemistry B. Roč. 114, č. 43 (2010), s. 13853-13860. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : ammonium * water * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006145