CAS OpenIR

Browse/Search Results:  1-3 of 3 Help

Selected(0)Clear Items/Page:    Sort:
Concentration-dependent structure of mixed NH4Cl and (NH4)(2)SO4 aqueous solutions from the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1185, 期号: -, 页码: 469—477
Authors:  Wang, JH;  Lin, H;  Li, F;  Li, SY;  An, SS;  Yuan, JS
View  |  Adobe PDF(1190Kb)  |  Favorite  |  View/Download:45/4  |  Submit date:2019/12/30
AB-INITIO  WATER-STRUCTURE  HYDRATION  AMMONIUM  HYDROGEN  ION  SCATTERING  K+  TEMPERATURE  SOLVATION  
A density functional theory study on the interaction between UO22+ and the carbamoylphosphoramidic acid ligand for uranium extraction from seawater 期刊论文
NUCLEAR SCIENCE AND TECHNIQUES, 2018, 卷号: 29, 期号: 6, 页码: -
Authors:  Guo, XJ;  Li, C;  Hu, JT;  Ma, HJ;  Qian, HL
View  |  Adobe PDF(1286Kb)  |  Favorite  |  View/Download:95/21  |  Submit date:2018/09/06
Ab-initio Pseudopotentials  Sequestering Uranium  Dft Investigations  Parameter Sets  Uranyl-ion  Energy  Complexes  Actinides  Potentials  Solvation  
S-shaped velocity deformation induced by ionic hydration in aqueous salt solution flow 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 44, 页码: 30055-30062
Authors:  Fan, W;  Chen, JG;  Lei, XL;  Fang, HP
View  |  Adobe PDF(1844Kb)  |  Favorite  |  View/Download:81/13  |  Submit date:2018/08/30
Molecular-dynamics Simulation  Frequency Raman-scattering  Initio Qm/mm Dynamics  Liquid Water  Electrolyte-solutions  Dielectric-relaxation  Nacl Solutions  Solvation  Mobility  Chloride