Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4]2-): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory? - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Journal of Physical Chemistry A Année : 2012

Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4]2-): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?

Domaines

Chimie
Fichier non déposé

Dates et versions

hal-00996884 , version 1 (27-05-2014)

Identifiants

Citer

Paweł Tecmer, Radovan Bast, Kenneth Ruud, Lucas Visscher. Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4]2-): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?. Journal of Physical Chemistry A, 2012, 116 (27), pp.7397-7404. ⟨10.1021/jp3011266⟩. ⟨hal-00996884⟩
46 Consultations
0 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More