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Molecular Simulation Volume 30, 2004 - Issue 10
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Original Articles

Molecular Dynamics Simulation Studies of the Limiting Conductances of CaCl2 using Extended Simple Point Charge and Revised Polarizable Models

Song Hi LeeCorrespondence[email protected]
Pages 669-678 | Received 01 Jun 2004, Accepted 01 Jun 2004, Published online: 31 Jan 2007

Citations (9)

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Ramachandren Dushanan, Samantha Weerasinghe, Dhammike P. Dissanayake & Rajendram Senthilinithy. (2022) Implication of Ab Initio, QM/MM, and molecular dynamics calculations on the prediction of the therapeutic potential of some selected HDAC inhibitors. Molecular Simulation 48:16, pages 1464-1475.
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Mingyan Li, Zhenhao Duan, Zhigang Zhang, Chi Zhang & John Weare. (2008) The structure, dynamics and solvation mechanisms of ions in water from long time molecular dynamics simulations: a case study of CaCl2 (aq) aqueous solutions. Molecular Physics 106:24, pages 2685-2697.
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Articles from other publishers (7)

Ujwala N. Patil, Sonanki Keshri & B. L. Tembe. (2021) Alkali metal chlorides in DMSO–methanol binary mixtures: insights into the structural properties through molecular dynamics simulations. Theoretical Chemistry Accounts 140:12.
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Sonanki Keshri, Ratnamala Mandal & B.L. Tembe. (2016) Solvation structures and dynamics of alkaline earth metal halides in supercritical water: A molecular dynamics study. Chemical Physics 476, pages 80-90.
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John M. Stubbs. (2016) Molecular simulations of supercritical fluid systems. The Journal of Supercritical Fluids 108, pages 104-122.
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Ariel A. Chialvo & Lukas Vlcek. (2016) Toward the understanding of hydration phenomena in aqueous electrolytes from the interplay of theory, molecular simulation, and experiment. Fluid Phase Equilibria 407, pages 84-104.
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Yizhak Marcus. 2012. Supercritical Water. Supercritical Water 100 150 .
Andriy Plugatyr & Igor M. Svishchev. (2011) Molecular Diffusivity of Phenol in Sub- and Supercritical Water: Application of the Split-Flow Taylor Dispersion Technique. The Journal of Physical Chemistry B 115:11, pages 2555-2562.
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Zhong-Zhi Yang & Xin Li. (2005) Ion Solvation in Water from Molecular Dynamics Simulation with the ABEEM/MM Force Field. The Journal of Physical Chemistry A 109:16, pages 3517-3520.
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