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  总访问量
 665
  访问来源
    内部： 0
    外部： 665
    国内： 503
    国外： 162

  年访问量
 163
  访问来源
    内部： 0
    外部： 163
    国内： 134
    国外： 29

  月访问量
 45
  访问来源
    内部： 0
    外部： 45
    国内： 42
    国外： 3

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1. Ab Initio Investigation of the Microspecies and Energy in Hydrated.. [197]
2. Molecular interactions in aqueous solutions of polyborates at diff.. [195]
3. Raman spectroscopy and ab initio quantum chemical calculations of .. [188]
4. Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, an.. [185]
5. EXAFS Study of the Structure of Amorphous Nickel Borate [169]
6. Micro-hydration and acid dissociation mechanism of B(OH)(3) [169]
7. Hydrogen generation mechanism of BH4- spontaneous hydrolysis: A si.. [168]
8. Characterizing Ni(II) hydration in aqueous solution using DFT and .. [165]
9. Cs~+水合结构的密度泛函理论计算研究 [160]
10. Reconsideration on Hydration of Sodium Ion: From Micro-Hydration t.. [159]
11. Density, Electrical Conductivity, pH, and Polyborate Distribution .. [147]
12. DFT对Rb~+水合团簇及其相关性质的分析 [141]
13. SO_4~(2-)微观水合结构DFT研究 [130]
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.. [130]
15. X射线及中子散射在溶液结构研究中的应用 [113]
16. 温度对液态水结构的影响:中子及X射线散射研究 [108]
17. 氯化钙溶液的分子动力学模拟研究（英文） [105]
18. Structure of Ternary Nitrate Molten Salt (Hitec) by X-ray Scatteri.. [102]
19. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [100]
20. A Study of the Structure of Aqueous Rubidium Tetraborate Solutions [95]
21. Micro-Raman and density functional theory analyses of ion pairs in.. [94]
22. Ion association in lithium metaborate solution a Raman and ab init.. [94]
23. Mechanism for hydrolysis of double six-membered ring tetraborate a.. [93]
24. The structural elucidation of aqueous H(3)BO(3)solutions by DFT an.. [91]
25. Structure of aqueous sodium acetate solutions by X-Ray scattering .. [89]
26. Microhydration of BH4- Dihydrogen Bonds, Structure, Stability, and.. [89]
27. Ion hydration and association in aqueous potassium tetrahydroxybor.. [85]
28. Ab-initio investigation on ion-associated species and association .. [85]
29. Structure analysis of aqueous Mg(NO3)(2) solutions [82]
30. Microstructure for aqueous cesium tetraborate and rubidium tetrabo.. [76]
31. Selectivity of 18-crown-6 ether to alkali ions by density function.. [73]
32. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [70]
33. Hydrolysis mechanism of double six-membered ring pentaborate anion [63]

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1. DFT对Rb~+水合团簇及其相关性质的分析 [1]