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  总访问量
 605
  访问来源
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    外部： 605
    国内： 454
    国外： 151

  年访问量
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    外部： 103
    国内： 85
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  月访问量
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1. Molecular interactions in aqueous solutions of polyborates at diff.. [186]
2. Ab Initio Investigation of the Microspecies and Energy in Hydrated.. [186]
3. Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, an.. [177]
4. Raman spectroscopy and ab initio quantum chemical calculations of .. [174]
5. Hydrogen generation mechanism of BH4- spontaneous hydrolysis: A si.. [162]
6. Micro-hydration and acid dissociation mechanism of B(OH)(3) [158]
7. EXAFS Study of the Structure of Amorphous Nickel Borate [157]
8. Characterizing Ni(II) hydration in aqueous solution using DFT and .. [157]
9. Cs~+水合结构的密度泛函理论计算研究 [150]
10. Reconsideration on Hydration of Sodium Ion: From Micro-Hydration t.. [146]
11. Density, Electrical Conductivity, pH, and Polyborate Distribution .. [139]
12. 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.. [124]
13. DFT对Rb~+水合团簇及其相关性质的分析 [123]
14. SO_4~(2-)微观水合结构DFT研究 [123]
15. X射线及中子散射在溶液结构研究中的应用 [106]
16. 温度对液态水结构的影响:中子及X射线散射研究 [97]
17. 氯化钙溶液的分子动力学模拟研究（英文） [95]
18. Structure of Ternary Nitrate Molten Salt (Hitec) by X-ray Scatteri.. [94]
19. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [89]
20. A Study of the Structure of Aqueous Rubidium Tetraborate Solutions [88]
21. Mechanism for hydrolysis of double six-membered ring tetraborate a.. [83]
22. The structural elucidation of aqueous H(3)BO(3)solutions by DFT an.. [83]
23. Structure of aqueous sodium acetate solutions by X-Ray scattering .. [83]
24. Ion association in lithium metaborate solution a Raman and ab init.. [82]
25. Micro-Raman and density functional theory analyses of ion pairs in.. [81]
26. Ion hydration and association in aqueous potassium tetrahydroxybor.. [77]
27. Ab-initio investigation on ion-associated species and association .. [76]
28. Microhydration of BH4- Dihydrogen Bonds, Structure, Stability, and.. [74]
29. Structure analysis of aqueous Mg(NO3)(2) solutions [74]
30. Microstructure for aqueous cesium tetraborate and rubidium tetrabo.. [65]
31. Selectivity of 18-crown-6 ether to alkali ions by density function.. [64]
32. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [57]
33. Hydrolysis mechanism of double six-membered ring pentaborate anion [54]

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1. DFT对Rb~+水合团簇及其相关性质的分析 [1]