Molecular Dynamics Simulations of Molten Salt Solutions NaCaF3, Na2CaF4 and Na3CaF5

Acta Physico-Chimica Sinica ◽

10.3866/pku.whxb19940802 ◽

1994 ◽

Vol 10 (08) ◽

pp. 676-679

Author(s):

Cheng Zhao-Nian ◽

◽

Jia Zheng-Ming ◽

Xu Li ◽

Chen Nian-Yi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Salt Solutions ◽

Dynamics Simulations

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1P242 1I1435 Analysis of the effect of water molecules on lipid bilayer dynamics in aqueous salt solutions using molecular dynamics simulations(Biol & Artifi memb.:Dynamics,Oral Presentations,The 48th Annual Meeting of the Biophysical Society of Japan)

Seibutsu Butsuri ◽

10.2142/biophys.50.s62_2 ◽

2010 ◽

Vol 50 (supplement2) ◽

pp. S62

Author(s):

Rina Kagawa ◽

Yoshinori Hirano ◽

Kenji Yasuoka ◽

Masato Yasui

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Annual Meeting ◽

Lipid Bilayer ◽

Water Molecules ◽

Salt Solutions ◽

Aqueous Salt Solutions ◽

Biophysical Society ◽

Dynamics Simulations ◽

Oral Presentations

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Thermal conductivity of molten salt mixtures: Theoretical model supported by equilibrium molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4942197 ◽

2016 ◽

Vol 144 (8) ◽

pp. 084506 ◽

Author(s):

Aïmen E. Gheribi ◽

Patrice Chartrand

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Theoretical Model ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Salt Mixtures ◽

Dynamics Simulations

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Ion Specificity at the Peptide Bond: Molecular Dynamics Simulations ofN-Methylacetamide in Aqueous Salt Solutions

The Journal of Physical Chemistry B ◽

10.1021/jp910953w ◽

2010 ◽

Vol 114 (2) ◽

pp. 1213-1220 ◽

Author(s):

Jan Heyda ◽

Jordan C. Vincent ◽

Douglas J. Tobias ◽

Joachim Dzubiella ◽

Pavel Jungwirth

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Peptide Bond ◽

Salt Solutions ◽

Ion Specificity ◽

Aqueous Salt Solutions ◽

Dynamics Simulations

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Molecular dynamics simulations of the liquid–vapor interface of a molten salt. II. Finite size effects and comparison to experiment

The Journal of Chemical Physics ◽

10.1063/1.1410394 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8612-8619 ◽

Author(s):

Andrés Aguado ◽

W. Scott ◽

Paul A. Madden

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Size Effects ◽

Finite Size ◽

Finite Size Effects ◽

Vapor Interface ◽

Dynamics Simulations ◽

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Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations

Journal of Computational Chemistry ◽

10.1002/jcc.23906 ◽

2015 ◽

Vol 36 (16) ◽

pp. 1196-1212 ◽

Author(s):

Shu-Ching Ou ◽

Di Cui ◽

Matthew Wezowicz ◽

Michela Taufer ◽

Sandeep Patel

Keyword(s):

Molecular Dynamics ◽

Carbon Nanotube ◽

Molecular Dynamics Simulations ◽

Temperature Effects ◽

Salt Solutions ◽

Dynamics Simulations

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Investigation of ionic local structure in molten salt fast reactor LiF-ThF4-UF4 fuel by EXAFS experiments and molecular dynamics simulations

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.112927 ◽

2020 ◽

Vol 307 ◽

pp. 112927

Author(s):

Catherine Bessada ◽

Didier Zanghi ◽

Mathieu Salanne ◽

Ana Gil-Martin ◽

Mathieu Gibilaro ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Fast Reactor ◽

Local Structure ◽

Dynamics Simulations

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Molecular dynamics simulations of the liquid–vapor interface of a molten salt. I. Influence of the interaction potential

The Journal of Chemical Physics ◽

10.1063/1.1410393 ◽

2001 ◽

Vol 115 (18) ◽

pp. 8603-8611 ◽

Author(s):

Andrés Aguado ◽

Mark Wilson ◽

Paul A. Madden

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molten Salt ◽

Interaction Potential ◽

Vapor Interface ◽

Dynamics Simulations ◽

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Molecular Structure of Surface-Active Salt Solutions: Photoelectron Spectroscopy and Molecular Dynamics Simulations of Aqueous Tetrabutylammonium Iodide†

The Journal of Physical Chemistry B ◽

10.1021/jp0493531 ◽

2004 ◽

Vol 108 (38) ◽

pp. 14558-14564 ◽

Author(s):

Bernd Winter ◽

Ramona Weber ◽

Philipp M. Schmidt ◽

Ingolf V. Hertel ◽

Manfred Faubel ◽

...

Keyword(s):

Molecular Structure ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Photoelectron Spectroscopy ◽

Salt Solutions ◽

Active Salt ◽

Tetrabutylammonium Iodide ◽

Surface Active ◽

Dynamics Simulations

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Molecular Dynamics Simulations of Hydrophobic Associations in Aqueous Salt Solutions Indicate a Connection between Water Hydrogen Bonding and the Hofmeister Effect

Journal of the American Chemical Society ◽

10.1021/ja073097z ◽

2007 ◽

Vol 129 (48) ◽

pp. 14887-14898 ◽

Author(s):

Andrew S. Thomas ◽

Adrian H. Elcock

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulations ◽

Salt Solutions ◽

Hofmeister Effect ◽

Aqueous Salt Solutions ◽

Dynamics Simulations ◽

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Polyelectrolytes in Salt Solutions: Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma2007943 ◽

2011 ◽

Vol 44 (14) ◽

pp. 5798-5816 ◽

Author(s):

Jan-Michael Y. Carrillo ◽

Andrey V. Dobrynin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Salt Solutions ◽

Dynamics Simulations

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