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  总访问量
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    外部： 965
    国内： 790
    国外： 175

  年访问量
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    外部： 463
    国内： 421
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1. Ab Initio Investigation of the Microspecies and Energy in Hydrated.. [268]
2. Raman spectroscopy and ab initio quantum chemical calculations of .. [253]
3. Molecular interactions in aqueous solutions of polyborates at diff.. [245]
4. Microhydration of BH4-: Dihydrogen Bonds, Structure, Stability, an.. [239]
5. EXAFS Study of the Structure of Amorphous Nickel Borate [233]
6. Micro-hydration and acid dissociation mechanism of B(OH)(3) [222]
7. Hydrogen generation mechanism of BH4- spontaneous hydrolysis: A si.. [214]
8. Characterizing Ni(II) hydration in aqueous solution using DFT and .. [210]
9. Reconsideration on Hydration of Sodium Ion: From Micro-Hydration t.. [208]
10. Density, Electrical Conductivity, pH, and Polyborate Distribution .. [202]
11. Cs~+水合结构的密度泛函理论计算研究 [202]
12. DFT对Rb~+水合团簇及其相关性质的分析 [178]
13. SO_4~(2-)微观水合结构DFT研究 [178]
14. X射线及中子散射在溶液结构研究中的应用 [167]
15. Structure of Ternary Nitrate Molten Salt (Hitec) by X-ray Scatteri.. [167]
16. 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.. [161]
17. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [158]
18. 温度对液态水结构的影响:中子及X射线散射研究 [150]
19. Micro-Raman and density functional theory analyses of ion pairs in.. [148]
20. The structural elucidation of aqueous H(3)BO(3)solutions by DFT an.. [148]
21. 氯化钙溶液的分子动力学模拟研究（英文） [146]
22. A Study of the Structure of Aqueous Rubidium Tetraborate Solutions [144]
23. Ab-initio investigation on ion-associated species and association .. [140]
24. Structure of aqueous sodium acetate solutions by X-Ray scattering .. [139]
25. Microhydration of BH4- Dihydrogen Bonds, Structure, Stability, and.. [139]
26. Ion hydration and association in aqueous potassium tetrahydroxybor.. [132]
27. Ion association in lithium metaborate solution a Raman and ab init.. [131]
28. Mechanism for hydrolysis of double six-membered ring tetraborate a.. [126]
29. Structure analysis of aqueous Mg(NO3)(2) solutions [117]
30. Microstructure for aqueous cesium tetraborate and rubidium tetrabo.. [110]
31. Raman and ab initio analyses of ion pairs in concentrated K[B(OH)(.. [106]
32. Selectivity of 18-crown-6 ether to alkali ions by density function.. [102]
33. Hydrolysis mechanism of double six-membered ring pentaborate anion [88]

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1. DFT对Rb~+水合团簇及其相关性质的分析 [1]