Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (Mp+ = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+)

Document type :
Journal articles
Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-02127159
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 11:35:25 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

Links full text

Identifiers

Citation

Christophe Gourlaouen, Jean-Philip Piquemal, Trond Saue, Olivier Parisel. Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (Mp+ = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+). Journal of Computational Chemistry, Wiley, 2006, 27 (2), pp.142-156. ⟨10.1002/jcc.20329⟩. ⟨hal-02127159⟩

Share

Metrics

Record views

11