Micro hydration structure of aqueous Li+ by DFT and CPMD
Hong Y. Liu, Yongquan Zhou, Fa Y. Zhu, Wen Qi Zhang, Guang G. Wang, Zhuan F. Jing, Chun H. Fang
Topics & Concepts
Solvation shellMoleculeAqueous solutionHydration energyChemistryDensity functional theoryMolecular dynamicsIonSolventShell (structure)Lithium (medication)Computational chemistryCrystallographyChemical physicsPhysical chemistrySolvationMaterials scienceOrganic chemistryComposite materialMedicineEndocrinologySpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics StudiesMolecular spectroscopy and chirality