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

机译：基于从头算的离子水相互作用势的i-TTM模型。 1.卤水势能函数

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11 págs.; 7 figs.; 4 tabs.

机译：11帕格。 7图。 4个标签。

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Arismendi-Arrieta D.J.; Riera Marc; Bajaj Pushp; Prosmiti Rita; Paesani F.;
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年度 2017
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正文语种 eng
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1. i-TTM Model for Ab Initio-Based Ion-Water Interaction Potentials. 1. Halide-Water Potential Energy Functions [J] . Arismendi-Arrieta Daniel J., Riera Marc, Bajaj Pushp, The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2016,第8期

机译：基于从头算的离子水相互作用势的i-TTM模型。 1.卤水势能函数
2. The i-TTM model for ab initio-based ion-water interaction potentials. II. Alkali metal ion-water potential energy functions [J] . Riera Marc, Gotz Andreas W., Paesani Francesco Physical chemistry chemical physics: PCCP . 2016,第44期

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3. Study of the stabilization energies of halide-water clusters: An application of first-principles interaction potentials based on a polarizable and flexible model [J] . Ayala R, Martinez JM, Pappalardo RR, The Journal of Chemical Physics . 2004,第15期

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

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