Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+...

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+)

Christophe Gourlaouen, Jean-Philip Piquemal, Trond Saue, Olivier Parisel
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Volume:
27
Year:
2006
Language:
english
Pages:
15
DOI:
10.1002/jcc.20329
File:
PDF, 312 KB
english, 2006
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