Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions.

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Five ab initio potential energy and dipole moment surfaces for hydrated NaCl and NaF. I. Two-body interactions.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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2016年學術文章

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2016年學術文章

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Five ab initio potential energ ...... NaF. I. Two-body interactions.

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Five ab initio potential energ ...... NaF. I. Two-body interactions.

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Item

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Five ab initio potential energ ...... NaF. I. Two-body interactions.

@en

Five ab initio potential energ ...... NaF. I. Two-body interactions.

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Five ab initio potential energ ...... NaF. I. Two-body interactions.

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Five ab initio potential energ ...... NaF. I. Two-body interactions.

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P1476

Five ab initio potential energ ...... NaF. I. Two-body interactions.

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P2093

Eugene Kamarchik

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Joel M Bowman

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Yimin Wang

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P2860

Effect of ions on the structure of water: structure making and breaking

Accurate ab initio and “hybrid” potential energy surfaces, intramolecular vibrational energies, and classical ir spectrum of the water dimer

Prying apart a water molecule with anionic H-bonding: a comparative spectroscopic study of the X-.H2O (X = OH, O, F, Cl, and Br) binary complexes in the 600-3800 cm(-1) region.

The study for the incipient solvation process of NaCl in water: the observation of the NaCl-(H2O)n (n = 1, 2, and 3) complexes using Fourier-transform microwave spectroscopy.

Solubility of KF and NaCl in water by molecular simulation.

Development of a "First Principles" Water Potential with Flexible Monomers. II: Trimer Potential Energy Surface, Third Virial Coefficient, and Small Clusters.

i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy Functions.

Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations.

Interionic hydration structures of NaCl in aqueous solution: a combined study of quantum mechanical cluster calculations and QM/EFP-MD simulations.

The effects of dissolved halide anions on hydrogen bonding in liquid water.

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114311

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scholarly article

P356

10.1063/1.4943580

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English

P433

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P478

144

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P577

2016-03-01T00:00:00Z

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P5875

299354595

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27004880

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