New potential model for molecular dynamic simulation of liquid HF. I—Parameter optimization for charge equilibration method (Q5697348)
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scientific article; zbMATH DE number 2214705
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| English | New potential model for molecular dynamic simulation of liquid HF. I—Parameter optimization for charge equilibration method |
scientific article; zbMATH DE number 2214705 |
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New potential model for molecular dynamic simulation of liquid HF. I—Parameter optimization for charge equilibration method (English)
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17 October 2005
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parameter optimization
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fluctuating charges
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charge equilibration method
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electrostatic potential
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0.6825913786888123
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0.6744608879089355
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0.6720463633537292
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0.6608854532241821
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0.6564167141914368
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