Structure of lanthanide nitrates in solution and in the solid state: DFT modelling of hydration effects
A. V. Yatsenko, Igor P. Gloriozov, Nelly I. Zhokhova, K.A. Paseshnichenko, L. A. Aslanov, Yuri A. Ustynyuk
Topics & Concepts
ChemistryHydrogen bondPolarizable continuum modelDensity functional theoryLanthanideMoleculePolarizabilityCoupled clusterCluster (spacecraft)Aqueous solutionCrystallographyComputational chemistryExtended X-ray absorption fine structurePhysical chemistryIonAbsorption spectroscopyPhysicsQuantum mechanicsOrganic chemistryProgramming languageComputer scienceSolvationLanthanide and Transition Metal ComplexesSolid-state spectroscopy and crystallographyMagnetism in coordination complexes