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  总访问量
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    外部： 521
    国内： 386
    国外： 135

  年访问量
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    外部： 19
    国内： 17
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1. Molecular interactions in aqueous solutions of polyborates at diff.. [163]
2. Ab Initio Investigation of the Microspecies and Energy in Hydrated.. [163]
3. Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, an.. [150]
4. Hydrogen generation mechanism of BH4- spontaneous hydrolysis: A si.. [147]
5. Raman spectroscopy and ab initio quantum chemical calculations of .. [145]
6. Micro-hydration and acid dissociation mechanism of B(OH)(3) [138]
7. Characterizing Ni(II) hydration in aqueous solution using DFT and .. [137]
8. EXAFS Study of the Structure of Amorphous Nickel Borate [135]
9. Cs~+水合结构的密度泛函理论计算研究 [130]
10. Reconsideration on Hydration of Sodium Ion: From Micro-Hydration t.. [129]
11. Density, Electrical Conductivity, pH, and Polyborate Distribution .. [123]
12. SO_4~(2-)微观水合结构DFT研究 [105]
13. DFT对Rb~+水合团簇及其相关性质的分析 [102]
14. 添加剂对储能材料CaCl_2·6H_2O+Ca(NO_3)_2·4H_2O相变温度和过冷温度.. [100]
15. X射线及中子散射在溶液结构研究中的应用 [77]
16. 氯化钙溶液的分子动力学模拟研究（英文） [67]
17. The structural elucidation of aqueous H(3)BO(3)solutions by DFT an.. [66]
18. 温度对液态水结构的影响:中子及X射线散射研究 [64]
19. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [64]
20. Structure of Ternary Nitrate Molten Salt (Hitec) by X-ray Scatteri.. [60]
21. Mechanism for hydrolysis of double six-membered ring tetraborate a.. [59]
22. Ion hydration and association in aqueous potassium tetrahydroxybor.. [57]
23. A Study of the Structure of Aqueous Rubidium Tetraborate Solutions [57]
24. Selectivity of 18-crown-6 ether to alkali ions by density function.. [55]
25. Structure of aqueous sodium acetate solutions by X-Ray scattering .. [55]
26. Ion association in lithium metaborate solution a Raman and ab init.. [54]
27. Structure analysis of aqueous Mg(NO3)(2) solutions [54]
28. Microhydration of BH4- Dihydrogen Bonds, Structure, Stability, and.. [52]
29. Micro-Raman and density functional theory analyses of ion pairs in.. [50]
30. Ab-initio investigation on ion-associated species and association .. [45]
31. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [41]
32. Microstructure for aqueous cesium tetraborate and rubidium tetrabo.. [40]
33. Hydrolysis mechanism of double six-membered ring pentaborate anion [36]

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1. DFT对Rb~+水合团簇及其相关性质的分析 [1]