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    外部： 616
    国内： 460
    国外： 156

  年访问量
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1. Molecular interactions in aqueous solutions of polyborates at diff.. [190]
2. Ab Initio Investigation of the Microspecies and Energy in Hydrated.. [189]
3. Raman spectroscopy and ab initio quantum chemical calculations of .. [181]
4. Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, an.. [180]
5. Hydrogen generation mechanism of BH4- spontaneous hydrolysis: A si.. [165]
6. Micro-hydration and acid dissociation mechanism of B(OH)(3) [162]
7. Characterizing Ni(II) hydration in aqueous solution using DFT and .. [160]
8. EXAFS Study of the Structure of Amorphous Nickel Borate [159]
9. Cs~+水合结构的密度泛函理论计算研究 [152]
10. Reconsideration on Hydration of Sodium Ion: From Micro-Hydration t.. [151]
11. Density, Electrical Conductivity, pH, and Polyborate Distribution .. [141]
12. DFT对Rb~+水合团簇及其相关性质的分析 [128]
13. 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.. [127]
14. SO_4~(2-)微观水合结构DFT研究 [126]
15. X射线及中子散射在溶液结构研究中的应用 [109]
16. 温度对液态水结构的影响:中子及X射线散射研究 [100]
17. 氯化钙溶液的分子动力学模拟研究（英文） [98]
18. Structure of Ternary Nitrate Molten Salt (Hitec) by X-ray Scatteri.. [98]
19. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [91]
20. A Study of the Structure of Aqueous Rubidium Tetraborate Solutions [91]
21. Mechanism for hydrolysis of double six-membered ring tetraborate a.. [87]
22. The structural elucidation of aqueous H(3)BO(3)solutions by DFT an.. [86]
23. Structure of aqueous sodium acetate solutions by X-Ray scattering .. [86]
24. Ion association in lithium metaborate solution a Raman and ab init.. [86]
25. Micro-Raman and density functional theory analyses of ion pairs in.. [83]
26. Ion hydration and association in aqueous potassium tetrahydroxybor.. [82]
27. Ab-initio investigation on ion-associated species and association .. [80]
28. Microhydration of BH4- Dihydrogen Bonds, Structure, Stability, and.. [78]
29. Structure analysis of aqueous Mg(NO3)(2) solutions [77]
30. Microstructure for aqueous cesium tetraborate and rubidium tetrabo.. [68]
31. Selectivity of 18-crown-6 ether to alkali ions by density function.. [65]
32. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [61]
33. Hydrolysis mechanism of double six-membered ring pentaborate anion [57]

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1. DFT对Rb~+水合团簇及其相关性质的分析 [1]