Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering
Martinek, Tomas, Duboué-Dijon, Elise, Timr, Štěpán, Mason, Philip E, Baxová, Katarina, Fischer, Henry E, Schmidt, Burkhard, Pluhařová, Eva, Jungwirth, Pavel
Published in The Journal of chemical physics (14.06.2018)
Published in The Journal of chemical physics (14.06.2018)
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Journal Article
Hydration and Ion Pairing in Aqueous Mg2+ and Zn2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations
Duboué-Dijon, Elise, Mason, Philip E, Fischer, Henry E, Jungwirth, Pavel
Published in The journal of physical chemistry. B (05.04.2018)
Published in The journal of physical chemistry. B (05.04.2018)
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Journal Article
Femtosecond x-ray diffraction reveals a liquid-liquid phase transition in phase-change materials
Zalden, Peter, Quirin, Florian, Schumacher, Mathias, Siegel, Jan, Wei, Shuai, Koc, Azize, Nicoul, Matthieu, Trigo, Mariano, Andreasson, Pererik, Enquist, Henrik, Shu, Michael J, Pardini, Tommaso, Chollet, Matthieu, Zhu, Diling, Lemke, Henrik, Ronneberger, Ider, Larsson, Jörgen, Lindenberg, Aaron M, Fischer, Henry E, Hau-Riege, Stefan, Reis, David A, Mazzarello, Riccardo, Wuttig, Matthias, Sokolowski-Tinten, Klaus
Published in Science (American Association for the Advancement of Science) (14.06.2019)
Published in Science (American Association for the Advancement of Science) (14.06.2019)
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Structure of diopside, enstatite, and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR
Mohammadi, Hesameddin, Mendes Da Silva, Rita, Zeidler, Anita, Gammond, Lawrence V. D., Gehlhaar, Florian, de Oliveira, Marcos, Damasceno, Hugo, Eckert, Hellmut, Youngman, Randall E., Aitken, Bruce G., Fischer, Henry E., Kohlmann, Holger, Cormier, Laurent, Benmore, Chris J., Salmon, Philip S.
Published in The Journal of chemical physics (07.12.2022)
Published in The Journal of chemical physics (07.12.2022)
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Journal Article
Structure of molten NaCl and the decay of the pair-correlations
Zeidler, Anita, Salmon, Philip S., Usuki, Takeshi, Kohara, Shinji, Fischer, Henry E., Wilson, Mark
Published in The Journal of chemical physics (07.09.2022)
Published in The Journal of chemical physics (07.09.2022)
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Pressure dependent structure of amorphous magnesium aluminosilicates: The effect of replacing magnesia by alumina at the enstatite composition
Mohammadi, Hesameddin, Zeidler, Anita, Youngman, Randall E., Fischer, Henry E., Salmon, Philip S.
Published in The Journal of chemical physics (14.02.2024)
Published in The Journal of chemical physics (14.02.2024)
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Structure of Strontium Aluminosilicate Glasses from Molecular Dynamics Simulation, Neutron Diffraction, and Nuclear Magnetic Resonance Studies
Charpentier, Thibault, Okhotnikov, Kirill, Novikov, Alexey N, Hennet, Louis, Fischer, Henry E, Neuville, Daniel R, Florian, Pierre
Published in The journal of physical chemistry. B (18.10.2018)
Published in The journal of physical chemistry. B (18.10.2018)
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Journal Article
Effect of antifluorite layer on the magnetic order in Eu-based 1111 compounds, EuTAsF (T = Zn, Mn, and Fe)
Plokhikh, Igor V, Tsirlin, Alexander A, Khalyavin, Dmitry D, Fischer, Henry E, Shevelkov, Andrei V, Pfitzner, Arno
Published in Physical chemistry chemical physics : PCCP (08.02.2023)
Published in Physical chemistry chemical physics : PCCP (08.02.2023)
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Different Water Networks Confined in Unidirectional Hydrophilic Nanopores and Transitions with Temperature
Alabarse, Frederico G, Baptiste, Benoît, Jiménez-Ruiz, Mónica, Coasne, Benoit, Haines, Julien, Brubach, Jean-Blaise, Roy, Pascale, Fischer, Henry E, Klotz, Stefan, Bove, Livia E
Published in Journal of physical chemistry. C (08.07.2021)
Published in Journal of physical chemistry. C (08.07.2021)
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Journal Article
Molecular Dynamics and Neutron Scattering Studies of Potassium Chloride in Aqueous Solution
Mason, Philip E, Tavagnacco, Letizia, Saboungi, Marie-Louise, Hansen, Thomas, Fischer, Henry E, Neilson, George W, Ichiye, Toshiko, Brady, John W
Published in The journal of physical chemistry. B (19.12.2019)
Published in The journal of physical chemistry. B (19.12.2019)
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Journal Article
Structure and dynamics of high-temperature strontium aluminosilicate melts
Florian, Pierre, Novikov, Alexey, Drewitt, James W E, Hennet, Louis, Sarou-Kanian, Vincent, Massiot, Dominique, Fischer, Henry E, Neuville, Daniel R
Published in Physical chemistry chemical physics : PCCP (2018)
Published in Physical chemistry chemical physics : PCCP (2018)
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Journal Article
The Ba3Mo1−xWxNbO8.5 ion conductors: insights into local coordination from X-ray and neutron total scattering
Coduri, Mauro, Bernasconi, Andrea, Fischer, Henry E, Malavasi, Lorenzo
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2020)
Published in Journal of materials chemistry. A, Materials for energy and sustainability (01.01.2020)
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Journal Article
Adjustable Magnetic Phase Transition Inducing Unusual Zero Thermal Expansion in Cubic RCo 2 -Based Intermetallic Compounds (R = Rare Earth)
Hu, Jinyu, Lin, Kun, Cao, Yili, Yu, Chengyi, Li, Wenjie, Huang, Rongjin, Fischer, Henry E, Kato, Kenichi, Song, Yuzhu, Chen, Jun, Zhang, Hongjie, Xing, Xianran
Published in Inorganic chemistry (06.05.2019)
Published in Inorganic chemistry (06.05.2019)
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Journal Article
Transformations to the aluminum coordination environment and network polymerization in amorphous aluminosilicates under pressure
Gammond, Lawrence V. D., Zeidler, Anita, Youngman, Randall E., Fischer, Henry E., Bull, Craig L., Salmon, Philip S.
Published in The Journal of chemical physics (21.08.2024)
Published in The Journal of chemical physics (21.08.2024)
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Journal Article
Hydration and Ion Pairing in Aqueous Mg 2+ and Zn 2+ Solutions: Force-Field Description Aided by Neutron Scattering Experiments and Ab Initio Molecular Dynamics Simulations
Duboué-Dijon, Elise, Mason, Philip E, Fischer, Henry E, Jungwirth, Pavel
Published in The journal of physical chemistry. B (05.04.2018)
Published in The journal of physical chemistry. B (05.04.2018)
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Journal Article
Structure and dynamics of aqueous NaCl solutions at high temperatures and pressures
Polidori, Annalisa, Rowlands, Ruth F., Zeidler, Anita, Salanne, Mathieu, Fischer, Henry E., Annighöfer, Burkhard, Klotz, Stefan, Salmon, Philip S.
Published in The Journal of chemical physics (21.11.2021)
Published in The Journal of chemical physics (21.11.2021)
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Journal Article