A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution.

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作者： Kęstutis,Aidas ^[1] ; Hans,Ågren ; Jacob,Kongsted ; Aatto,Laaksonen ; Francesca,Mocci

作者单位： Department of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden. kaidas@theochem.kth.se ^[1]

主题词离子(Ions);分子动力学模拟(Molecular Dynamics Simulation);量子论(Quantum Theory);钠(Sodium);溶液(Solutions);水(Water)

DOI 10.1039/c2cp41993a

PMID 23247548

发布时间 2013-11-21

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Physical chemistry chemical physics

2013年15卷5期

1621-31页

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A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution.

Physical chemistry chemical physics

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Physical chemistry chemical physics

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A quantum mechanics/molecular dynamics study of electric field gradient fluctuations in the liquid phase. The case of Na+ in aqueous solution.

Physical chemistry chemical physics

相似文献

Physical chemistry chemical physics

相关期刊

检索历史清除