In:
Chemistry – A European Journal, Wiley, Vol. 3, No. 9 ( 1997-09), p. 1451-1457
Abstract:
The aurophilic Au 1 ⃛Au 1 attraction can only be reliably reproduced in ab initio calculations at correlated level if certain technical requirements are fulfilled. The interaction energy decreases by 27% for a perpendicular [(ClAuPH 3 ) 2 ] model (see figure) if relativistic effects are omitted. Soft ligands at gold strengthen the interaction. magnified image
Type of Medium:
Online Resource
ISSN:
0947-6539
,
1521-3765
DOI:
10.1002/chem.19970030911
Language:
English
Publisher:
Wiley
Publication Date:
1997
detail.hit.zdb_id:
1478547-X
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