polarizable molecular dynamics simulation based on charge response kernel model Search Results


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gaussian charge polarizable water model  (Molecular Dynamics Inc)
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Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving <t>Gaussian</t> smeared electrostatic charges and induced dipoles.
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Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving <t>Gaussian</t> smeared electrostatic charges and induced dipoles.
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simulation software  (Dassault Systemes)
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Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving <t>Gaussian</t> smeared electrostatic charges and induced dipoles.
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Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving <t>Gaussian</t> smeared electrostatic charges and induced dipoles.
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Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving <t>Gaussian</t> smeared electrostatic charges and induced dipoles.
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simulation software packages  (Simio LLC)
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Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving <t>Gaussian</t> smeared electrostatic charges and induced dipoles.
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Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving <t>Gaussian</t> smeared electrostatic charges and induced dipoles.
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Image Search Results


Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving Gaussian smeared electrostatic charges and induced dipoles.

Journal: The journal of physical chemistry. B

Article Title: Ewald summation approach to potential models of aqueous electrolytes involving gaussian charges and induced dipoles: formal and simulation results.

doi: 10.1021/jp509074p

Figure Lengend Snippet: Figure 1. Schematic representation of the split between real- and reciprocal-space contributions in the Ewald summation approach involving Gaussian smeared electrostatic charges and induced dipoles.

Article Snippet: A.; Horita, J. Polarization Behavior of Water in Extreme Aqueous Environments: A Molecular Dynamics Study Based on the Gaussian Charge Polarizable Water Model. J. Chem.

Techniques: